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Fiehn Lib


The list below displays all identified metabolites that are currently screened by the Fiehn laboratory.  [LINK] It is best used by querying the structure keys, as many names are non-trivial and the list below does not comprise synonyms. A further option is to query for PubChem CIDs. However, different stereoconfigurations are annotated by different PubChem CIDs, and we have not always used stereoinformation below. Again, the best way to compare compound lists is by structures, specifically InChI codes.

We are continually extending the compound list and welcome compound donations or compound structures and names with PubChem CIDs that are yet missing in our lists. For additional information please visit the FiehnLib 2009 website.

If you are interested in the corresponding mass spectra, you can purchase the Fiehn libraries for GC-quadrupole mass spectrometers from Agilent, and for GC-TOF mass spectrometers from Leco.

You can also directly compare mass spectra by compound names, by database identifiers or even against your own GC/MS spectra by querying BinBase.



1 154.12 C7H6O4 CID: 19 2,3-dihydroxybenzoic acid GLDQAMYCGOIJDV-UHFFFAOYSA-N
2 176.16 C7H12O5 CID: 36 2-hydroxy-3-isopropylbutanedioic acid RNQHMTFBUSSBJQ-UHFFFAOYSA-N
3 128.12 C6H8O3 CID: 39 4,4-dimethyltetrahydrofuran-2,3-dione HRTOQFBQOFIFEE-UHFFFAOYSA-N
4 120.06 C3H4O5 CID: 45 2-hydroxypropanedioic acid ROBFUDYVXSDBQM-UHFFFAOYSA-N
5 116.11 C5H8O3 CID: 49 3-methyl-2-oxobutanoic acid QHKABHOOEWYVLI-UHFFFAOYSA-N
6 146.09 C5H6O5 CID: 51 2-oxopentanedioic acid KPGXRSRHYNQIFN-UHFFFAOYSA-N
7 102.08 C4H6O3 CID: 58 2-oxobutanoic acid TYEYBOSBBBHJIV-UHFFFAOYSA-N
8 130.14 C6H10O3 CID: 70 4-methyl-2-oxopentanoic acid BKAJNAXTPSGJCU-UHFFFAOYSA-N
9 160.12 C6H8O5 CID: 71 2-oxohexanedioic acid FGSBNBBHOZHUBO-UHFFFAOYSA-N
10 154.12 C7H6O4 CID: 72 3,4-dihydroxybenzoic acid YQUVCSBJEUQKSH-UHFFFAOYSA-N
11 288.42 C19H28O2 CID: 76 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one FMGSKLZLMKYGDP-UHFFFAOYSA-N
12 172.13 C7H8O5 CID: 80 4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylic acid SLWWJZMPHJJOPH-UHFFFAOYSA-N
13 153.13 C7H7NO3 CID: 86 2-amino-3-hydroxybenzoic acid WJXSWCUQABXPFS-UHFFFAOYSA-N
14 166.17 C9H10O3 CID: 91 3-(3-hydroxyphenyl)propanoic acid QVWAEZJXDYOKEH-UHFFFAOYSA-N
15 122.12 C7H6O2 CID: 101 3-hydroxybenzaldehyde IAVREABSGIHHMO-UHFFFAOYSA-N
16 124.13 C7H8O2 CID: 102 3-(hydroxymethyl)phenol OKVJCVWFVRATSG-UHFFFAOYSA-N
17 150.17 C9H10O2 CID: 107 3-phenylpropanoic acid XMIIGOLPHOKFCH-UHFFFAOYSA-N
18 132.11 C4H8N2O3 CID: 111 3-ureidopropanoic acid JSJWCHRYRHKBBW-UHFFFAOYSA-N
19 103.11 C4H9NO2 CID: 119 4-aminobutanoic acid BTCSSZJGUNDROE-UHFFFAOYSA-N
20 122.12 C7H6O2 CID: 126 4-hydroxybenzaldehyde RGHHSNMVTDWUBI-UHFFFAOYSA-N
21 152.14 C8H8O3 CID: 127 2-(4-hydroxyphenyl)acetic acid XQXPVVBIMDBYFF-UHFFFAOYSA-N
22 138.12 C7H6O3 CID: 135 4-hydroxybenzoic acid FJKROLUGYXJWQN-UHFFFAOYSA-N
23 117.14 C5H11NO2 CID: 138 5-aminopentanoic acid JJMDCOVWQOJGCB-UHFFFAOYSA-N
24 220.22 C11H12N2O3 CID: 144 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid LDCYZAJDBXYCGN-UHFFFAOYSA-N
25 352.46 C20H32O5 CID: 158 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]-5-heptenoic acid XEYBRNLFEZDVAW-UHFFFAOYSA-N
26 147.12 C5H9NO4 CID: 189 3-acetoxy-2-aminopropanoic acid VZXPDPZARILFQX-UHFFFAOYSA-N
27 135.12 C5H5N5 CID: 190 7H-purin-6-amine GFFGJBXGBJISGV-UHFFFAOYSA-N
28 267.24 C10H13N5O4 CID: 191 2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol OIRDTQYFTABQOQ-UHFFFAOYSA-N
29 146.14 C6H10O4 CID: 196 adipic acid WNLRTRBMVRJNCN-UHFFFAOYSA-N
30 176.13 C4H8N4O4 CID: 203 2,2-diureidoacetic acid NUCLJNSWZCHRKL-UHFFFAOYSA-N
31 158.11 C4H6N4O3 CID: 204 (2,5-dioxo-4-imidazolidinyl)urea POJWUDADGALRAB-UHFFFAOYSA-N
32 119.11 C4H9NO3 CID: 205 2-amino-3-hydroxybutanoic acid AYFVYJQAPQTCCC-UHFFFAOYSA-N
33 180.15 C6H12O6 CID: 206 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-UHFFFAOYSA-N
34 347.22 C10H14N5O7P CID: 224 [5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate UDMBCSSLTHHNCD-UHFFFAOYSA-N
35 290.44 C19H30O2 CID: 225 3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one QGXBDMJGAMFCBF-UHFFFAOYSA-N
36 176.12 C6H8O6 CID: 235 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone TYQCGQRIZGCHNB-UHFFFAOYSA-N
37 132.11 C4H8N2O3 CID: 236 2,4-diamino-4-oxobutanoic acid DCXYFEDJOCDNAF-UHFFFAOYSA-N
38 89.093 C3H7NO2 CID: 239 3-aminopropanoic acid UCMIRNVEIXFBKS-UHFFFAOYSA-N
39 106.12 C7H6O CID: 240 benzaldehyde HUMNYLRZRPPJDN-UHFFFAOYSA-N
40 122.12 C7H6O2 CID: 243 benzoic acid WPYMKLBDIGXBTP-UHFFFAOYSA-N
41 108.13 C7H8O CID: 244 phenylmethanol WVDDGKGOMKODPV-UHFFFAOYSA-N
42 244.31 C10H16N2O3S CID: 253 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoic acid YBJHBAHKTGYVGT-UHFFFAOYSA-N
43 186.20 C12H10O2 CID: 254 3-phenylbenzene-1,2-diol YKOQAAJBYBTSBS-UHFFFAOYSA-N
44 72.105 C4H8O CID: 261 butanal ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
45 329.20 C10H12N5O6P CID: 274 8-(6-amino-9-purinyl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol IVOMOUWHDPKRLL-UHFFFAOYSA-N
46 176.17 C5H12N4O3 CID: 275 2-amino-4-guanidinooxybutanoic acid FSBIGDSBMBYOPN-UHFFFAOYSA-N
47 176.12 C5H8N2O5 CID: 279 2-ureidobutanedioic acid HLKXYZVTANABHZ-UHFFFAOYSA-N
48 91.066 C2H5NO3 CID: 286 2-aminooxyacetic acid NQRKYASMKDDGHT-UHFFFAOYSA-N
49 161.19 C7H15NO3 CID: 288 3-hydroxy-4-(trimethylammonio)butanoate PHIQHXFUZVPYII-UHFFFAOYSA-N
50 110.11 C6H6O2 CID: 289 benzene-1,2-diol YCIMNLLNPGFGHC-UHFFFAOYSA-N
51 345.20 C10H12N5O7P CID: 295 2-amino-9-(3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl)-3H-purin-6-one ZOOGRGPOEVQQDX-UHFFFAOYSA-N
52 408.57 C24H40O5 CID: 303 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid BHQCQFFYRZLCQQ-UHFFFAOYSA-N
53 386.65 C27H46O CID: 304 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol HVYWMOMLDIMFJA-UHFFFAOYSA-N
54 192.12 C6H8O7 CID: 311 citric acid KRKNYBCHXYNGOX-UHFFFAOYSA-N
55 323.19 C9H14N3O8P CID: 314 [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate IERHLVCPSMICTF-UHFFFAOYSA-N
56 150.21 C10H14O CID: 325 (4-isopropylphenyl)methanol OIGWAXDAPKFNCQ-UHFFFAOYSA-N
57 168.14 C8H8O4 CID: 328 2-hydroxy-2-(4-hydroxyphenyl)acetic acid YHXHKYRQLYQUIH-UHFFFAOYSA-N
58 108.13 C7H8O CID: 335 2-methylphenol QWVGKYWNOKOFNN-UHFFFAOYSA-N
59 138.12 C7H6O3 CID: 338 2-hydroxybenzoic acid YGSDEFSMJLZEOE-UHFFFAOYSA-N
60 125.06 C2H8NO3P CID: 339 2-aminoethylphosphonic acid QQVDJLLNRSOCEL-UHFFFAOYSA-N
61 124.13 C7H8O2 CID: 340 3-methylbenzene-1,2-diol PGSWEKYNAOWQDF-UHFFFAOYSA-N
62 108.13 C7H8O CID: 342 3-methylphenol RLSSMJSEOOYNOY-UHFFFAOYSA-N
63 272.25 C12H16O7 CID: 346 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol BJRNKVDFDLYUGJ-UHFFFAOYSA-N
64 126.11 C6H6O3 CID: 359 benzene-1,3,5-triol QCDYQQDYXPDABM-UHFFFAOYSA-N
65 170.11 C7H6O5 CID: 370 3,4,5-trihydroxybenzoic acid LNTHITQWFMADLM-UHFFFAOYSA-N
66 219.08 C6H6NO6P CID: 378 (4-nitrophenyl) dihydrogen phosphate XZKIHKMTEMTJQX-UHFFFAOYSA-N
67 144.21 C8H16O2 CID: 379 octanoic acid WWZKQHOCKIZLMA-UHFFFAOYSA-N
68 160.16 C7H12O4 CID: 385 heptanedioic acid WLJVNTCWHIRURA-UHFFFAOYSA-N
69 174.19 C10H10N2O CID: 397 2-(1H-indol-3-yl)acetamide ZOAMBXDOGPRZLP-UHFFFAOYSA-N
70 102.09 C3H6N2O2 CID: 401 4-amino-3-isoxazolidinone DYDCUQKUCUHJBH-UHFFFAOYSA-N
71 109.12 C6H7NO CID: 403 4-aminophenol PLIKAWJENQZMHA-UHFFFAOYSA-N
72 148.20 C9H12N2 CID: 412 3-(2-pyrrolidinyl)pyridine MYKUKUCHPMASKF-UHFFFAOYSA-N
73 208.34 C8H16O2S2 CID: 421 6,8-dimercaptooctanoic acid IZFHEQBZOYJLPK-UHFFFAOYSA-N
74 276.13 C6H13O10P CID: 422 2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid BIRSGZKFKXLSJQ-UHFFFAOYSA-N
75 133.10 C4H7NO4 CID: 424 2-aminobutanedioic acid CKLJMWTZIZZHCS-UHFFFAOYSA-N
76 256.25 C15H12O4 CID: 425 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one DXDRHHKMWQZJHT-UHFFFAOYSA-N
77 74.124 C3H10N2 CID: 428 propane-1,3-diamine XFNJVJPLKCPIBV-UHFFFAOYSA-N
78 384.63 C27H44O CID: 440 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one NYOXRYYXRWJDKP-UHFFFAOYSA-N
79 104.10 C4H8O3 CID: 441 3-hydroxybutanoic acid WHBMMWSBFZVSSR-UHFFFAOYSA-N
80 128.21 C8H16O CID: 454 octanal NUJGJRNETVAIRJ-UHFFFAOYSA-N
81 137.15 C7H9N2O CID: 457 1-methyl-3-pyridin-1-iumcarboxamide LDHMAVIPBRSVRG-UHFFFAOYSA-O
82 124.13 C7H8O2 CID: 460 2-methoxyphenol LHGVFZTZFXWLCP-UHFFFAOYSA-N
83 179.17 C9H9NO3 CID: 464 2-[[oxo(phenyl)methyl]amino]acetic acid QIAFMBKCNZACKA-UHFFFAOYSA-N
84 161.15 C6H11NO4 CID: 469 2-aminohexanedioic acid OYIFNHCXNCRBQI-UHFFFAOYSA-N
85 118.13 C4H10N2O2 CID: 470 2,4-diaminobutanoic acid OGNSCSPNOLGXSM-UHFFFAOYSA-N
86 304.25 C15H12O7 CID: 471 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone CXQWRCVTCMQVQX-UHFFFAOYSA-N
87 118.08 C4H6O4 CID: 487 2-methylpropanedioic acid ZIYVHBGGAOATLY-UHFFFAOYSA-N
88 145.15 C5H11N3O2 CID: 500 4-guanidinobutanoic acid TUHVEAJXIMEOSA-UHFFFAOYSA-N
89 156.03 C2H5O6P CID: 529 2-phosphonooxyacetic acid ASCFNMCAHFUBCO-UHFFFAOYSA-N
90 101.10 C4H7NO2 CID: 535 1-aminocyclopropanecarboxylic acid PAJPWUMXBYXFCZ-UHFFFAOYSA-N
91 168.14 C8H8O4 CID: 547 2-(3,4-dihydroxyphenyl)acetic acid CFFZDZCDUFSOFZ-UHFFFAOYSA-N
92 168.19 C12H8O CID: 568 dibenzofuran TXCDCPKCNAJMEE-UHFFFAOYSA-N
93 131.13 C4H9N3O2 CID: 586 2-[carbamimidoyl(methyl)amino]acetic acid CVSVTCORWBXHQV-UHFFFAOYSA-N
94 113.11 C4H7N3O CID: 588 2-amino-3-methyl-4H-imidazol-5-one DDRJAANPRJIHGJ-UHFFFAOYSA-N
95 121.15 C3H7NO2S CID: 594 2-amino-3-mercaptopropanoic acid XUJNEKJLAYXESH-UHFFFAOYSA-N
96 243.21 C9H13N3O5 CID: 596 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone UHDGCWIWMRVCDJ-UHFFFAOYSA-N
97 111.10 C4H5N3O CID: 597 6-amino-1H-pyrimidin-2-one OPTASPLRGRRNAP-UHFFFAOYSA-N
98 142.19 C2H6O3S2 CID: 598 2-mercaptoethanesulfonic acid ZNEWHQLOPFWXOF-UHFFFAOYSA-N
99 160.17 C6H12N2O3 CID: 601 2-[(2-amino-1-oxopropyl)amino]propanoic acid DEFJQIDDEAULHB-UHFFFAOYSA-N
100 89.093 C3H7NO2 CID: 602 2-aminopropanoic acid QNAYBMKLOCPYGJ-UHFFFAOYSA-N
101 196.15 C6H12O7 CID: 604 2,3,4,5,6-pentahydroxyhexanoic acid RGHNJXZEOKUKBD-UHFFFAOYSA-N
102 210.13 C6H10O8 CID: 607 2,3,4,5-tetrahydroxyhexanedioic acid DSLZVSRJTYRBFB-UHFFFAOYSA-N
103 178.13 C6H10O6 CID: 608 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-tetrahydrofuranone SXZYCXMUPBBULW-UHFFFAOYSA-N
104 147.12 C5H9NO4 CID: 611 2-aminopentanedioic acid WHUUTDBJXJRKMK-UHFFFAOYSA-N
105 90.077 C3H6O3 CID: 612 2-hydroxypropanoic acid JVTAAEKCZFNVCJ-UHFFFAOYSA-N
106 115.13 C5H9NO2 CID: 614 2-pyrrolidinecarboxylic acid ONIBWKKTOPOVIA-UHFFFAOYSA-N
107 105.09 C3H7NO3 CID: 617 2-amino-3-hydroxypropanoic acid MTCFGRXMJLQNBG-UHFFFAOYSA-N
108 331.22 C10H14N5O6P CID: 621 [5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate KHWCHTKSEGGWEX-UHFFFAOYSA-N
109 251.24 C10H13N5O3 CID: 636 5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol OLXZPDWKRNYJJZ-UHFFFAOYSA-N
110 227.21 C9H13N3O4 CID: 637 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone CKTSBUTUHBMZGZ-UHFFFAOYSA-N
111 267.24 C10H13N5O4 CID: 638 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one YKBGVTZYEHREMT-UHFFFAOYSA-N
112 228.20 C9H12N2O5 CID: 640 1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione MXHRCPNRJAMMIM-UHFFFAOYSA-N
113 114.10 C4H6N2O2 CID: 649 hexahydropyrimidine-2,4-dione OIVLITBTBDPEFK-UHFFFAOYSA-N
114 148.15 C9H8O2 CID: 660 2-chromanone VMUXSMXIQBNMGZ-UHFFFAOYSA-N
115 170.05 C3H7O6P CID: 668 (3-hydroxy-2-oxopropyl) dihydrogen phosphate GNGACRATGGDKBX-UHFFFAOYSA-N
116 90.077 C3H6O3 CID: 670 1,3-dihydroxy-2-propanone RXKJFZQQPQGTFL-UHFFFAOYSA-N
117 204.17 C11H8O4 CID: 671 1,4-dihydroxy-2-naphthalenecarboxylic acid VOJUXHHACRXLTD-UHFFFAOYSA-N
118 103.11 C4H9NO2 CID: 673 2-(dimethylamino)acetic acid FFDGPVCHZBVARC-UHFFFAOYSA-N
119 146.18 C9H10N2 CID: 675 5,6-dimethyl-1H-benzimidazole LJUQGASMPRMWIW-UHFFFAOYSA-N
120 153.17 C8H11NO2 CID: 681 4-(2-aminoethyl)benzene-1,2-diol VYFYYTLLBUKUHU-UHFFFAOYSA-N
121 200.08 C4H9O7P CID: 697 (2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate NGHMDNPXVRFFGS-UHFFFAOYSA-N
122 61.083 C2H7NO CID: 700 2-aminoethanol HZAXFHJVJLSVMW-UHFFFAOYSA-N
123 186.05 C3H7O7P CID: 724 2-hydroxy-3-phosphonooxypropanoic acid OSJPPGNTCRNQQC-UHFFFAOYSA-N
124 170.05 C3H7O6P CID: 729 (2-hydroxy-3-oxopropyl) dihydrogen phosphate LXJXRIRHZLFYRP-UHFFFAOYSA-N
125 178.13 C6H10O6 CID: 736 3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranone PHOQVHQSTUBQQK-UHFFFAOYSA-N
126 146.14 C5H10N2O3 CID: 738 2,5-diamino-5-oxopentanoic acid ZDXPYRJPNDTMRX-UHFFFAOYSA-N
127 259.15 C6H14NO8P CID: 740 [3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate YMJBYRVFGYXULK-UHFFFAOYSA-N
128 132.11 C5H8O4 CID: 743 glutaric acid JFCQEDHGNNZCLN-UHFFFAOYSA-N
129 75.066 C2H5NO2 CID: 750 2-aminoacetic acid DHMQDGOQFOQNFH-UHFFFAOYSA-N
130 90.077 C3H6O3 CID: 751 2,3-dihydroxypropanal MNQZXJOMYWMBOU-UHFFFAOYSA-N
131 106.07 C3H6O4 CID: 752 2,3-dihydroxypropanoic acid RBNPOMFGQQGHHO-UHFFFAOYSA-N
132 92.093 C3H8O3 CID: 753 glycerol PEDCQBHIVMGVHV-UHFFFAOYSA-N
133 172.07 C3H9O6P CID: 754 2,3-dihydroxypropyl dihydrogen phosphate AWUCVROLDVIAJX-UHFFFAOYSA-N
134 76.051 C2H4O3 CID: 757 2-hydroxyacetic acid AEMRFAOFKBGASW-UHFFFAOYSA-N
135 117.10 C3H7N3O2 CID: 763 2-guanidinoacetic acid BPMFZUMJYQTVII-UHFFFAOYSA-N
136 151.12 C5H5N5O CID: 764 2-amino-3,7-dihydropurin-6-one UYTPUPDQBNUYGX-UHFFFAOYSA-N
137 283.24 C10H13N5O5 CID: 765 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one NYHBQMYGNKIUIF-UHFFFAOYSA-N
138 168.14 C8H8O4 CID: 780 2-(2,5-dihydroxyphenyl)acetic acid IGMNYECMUMZDDF-UHFFFAOYSA-N
139 110.11 C6H6O2 CID: 785 benzene-1,4-diol QIGBRXMKCJKVMJ-UHFFFAOYSA-N
140 33.029 H3NO CID: 787 hydroxylamine AVXURJPOCDRRFD-UHFFFAOYSA-N
141 136.11 C5H4N4O CID: 790 3,7-dihydropurin-6-one FDGQSTZJBFJUBT-UHFFFAOYSA-N
142 131.17 C6H13NO2 CID: 791 2-amino-3-methylpentanoic acid AGPKZVBTJJNPAG-UHFFFAOYSA-N
143 348.20 C10H13N4O8P CID: 797 [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate GRSZFWQUAKGDAV-UHFFFAOYSA-N
144 175.18 C10H9NO2 CID: 802 2-(1H-indol-3-yl)acetic acid SEOVTRFCIGRIMH-UHFFFAOYSA-N
145 203.19 C11H9NO3 CID: 803 3-(1H-indol-3-yl)-2-oxopropanoic acid RSTKLPZEZYGQPY-UHFFFAOYSA-N
146 268.22 C10H12N4O5 CID: 804 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one UGQMRVRMYYASKQ-UHFFFAOYSA-N
147 130.09 C5H6O4 CID: 811 2-methylenebutanedioic acid LVHBHZANLOWSRM-UHFFFAOYSA-N
148 117.14 C5H11NO2 CID: 824 2-aminopentanoic acid SNDPXSYFESPGGJ-UHFFFAOYSA-N
149 152.14 C5H12O5 CID: 827 pentane-1,2,3,4,5-pentol HEBKCHPVOIAQTA-UHFFFAOYSA-N
150 175.18 C6H13N3O3 CID: 833 2-amino-5-ureidopentanoic acid RHGKLRLOHDJJDR-UHFFFAOYSA-N
151 174.10 C6H6O6 CID: 835 5-(1,2-dihydroxyethyl)tetrahydrofuran-2,3,4-trione SBJKKFFYIZUCET-UHFFFAOYSA-N
152 197.18 C9H11NO4 CID: 836 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid WTDRDQBEARUVNC-UHFFFAOYSA-N
153 183.20 C9H13NO3 CID: 838 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol UCTWMZQNUQWSLP-UHFFFAOYSA-N
154 165.21 C5H11NO3S CID: 847 2-amino-4-methylsulfinylbutanoic acid QEFRNWWLZKMPFJ-UHFFFAOYSA-N
155 129.15 C6H11NO2 CID: 849 2-piperidinecarboxylic acid HXEACLLIILLPRG-UHFFFAOYSA-N
156 131.17 C6H13NO2 CID: 857 2-amino-4-methylpentanoic acid ROHFNLRQFUQHCH-UHFFFAOYSA-N
157 205.34 C8H15NOS2 CID: 863 5-(3-dithiolanyl)pentanamide FCCDDURTIIUXBY-UHFFFAOYSA-N
158 190.19 C7H14N2O4 CID: 865 2,6-diaminoheptanedioic acid GMKMEZVLHJARHF-UHFFFAOYSA-N
159 104.06 C3H4O4 CID: 867 malonic acid OFOBLEOULBTSOW-UHFFFAOYSA-N
160 166.17 C9H10O3 CID: 873 3-(2-hydroxyphenyl)propanoic acid CJBDUOMQLFKVQC-UHFFFAOYSA-N
161 130.09 C5H6O4 CID: 874 2-methyl-2-butenedioic acid HNEGQIOMVPPMNR-UHFFFAOYSA-N
162 150.08 C4H6O6 CID: 875 2,3-dihydroxybutanedioic acid FEWJPZIEWOKRBE-UHFFFAOYSA-N
163 149.21 C5H11NO2S CID: 876 2-amino-4-(methylthio)butanoic acid FFEARJCKVFRZRR-UHFFFAOYSA-N
164 180.15 C6H12O6 CID: 892 cyclohexane-1,2,3,4,5,6-hexol CDAISMWEOUEBRE-UHFFFAOYSA-N
165 232.27 C13H16N2O2 CID: 896 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide DRLFMBDRBRZALE-UHFFFAOYSA-N
166 221.20 C8H15NO6 CID: 899 N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide OVRNDRQMDRJTHS-UHFFFAOYSA-N
167 218.25 C12H14N2O2 CID: 903 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide MVAWJSIDNICKHF-UHFFFAOYSA-N
168 135.16 C8H9NO CID: 904 N-phenylacetamide FZERHIULMFGESH-UHFFFAOYSA-N
169 174.19 C7H14N2O3 CID: 907 2-acetamido-5-aminopentanoic acid JRLGPAXAGHMNOL-UHFFFAOYSA-N
170 177.22 C6H11NO3S CID: 911 2-formamido-4-(methylthio)butanoic acid PYUSHNKNPOHWEZ-UHFFFAOYSA-N
171 151.20 C9H13NO CID: 913 2-(methylamino)-1-phenylethanol ZCTYHONEGJTYQV-UHFFFAOYSA-N
172 218.25 C12H14N2O2 CID: 914 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid CZCIKBSVHDNIDH-UHFFFAOYSA-N
173 128.17 C10H8 CID: 931 naphthalene UFWIBTONFRDIAS-UHFFFAOYSA-N
174 122.12 C6H6N2O CID: 936 3-pyridinecarboxamide DFPAKSUCGFBDDF-UHFFFAOYSA-N
175 123.10 C6H5NO2 CID: 938 3-pyridinecarboxylic acid PVNIIMVLHYAWGP-UHFFFAOYSA-N
176 169.17 C8H11NO3 CID: 951 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol SFLSHLFXELFNJZ-UHFFFAOYSA-N
177 219.19 C8H13NO6 CID: 954 2-amino-4-(4-hydroxy-1,4-dioxobutoxy)butanoic acid GNISQJGXJIDKDJ-UHFFFAOYSA-N
178 130.22 C8H18O CID: 957 1-octanol KBPLFHHGFOOTCA-UHFFFAOYSA-N
179 104.06 C3H4O4 CID: 964 3-hydroxy-2-oxopropanoic acid HHDDCCUIIUWNGJ-UHFFFAOYSA-N
180 282.46 C18H34O2 CID: 965 9-octadecenoic acid ZQPPMHVWECSIRJ-UHFFFAOYSA-N
181 156.09 C5H4N2O4 CID: 967 2,4-dioxo-1H-pyrimidine-6-carboxylic acid PXQPEWDEAKTCGB-UHFFFAOYSA-N
182 132.07 C4H4O5 CID: 970 2-oxobutanedioic acid KHPXUQMNIQBQEV-UHFFFAOYSA-N
183 90.034 C2H2O4 CID: 971 oxalic acid MUBZPKHOEPUJKR-UHFFFAOYSA-N
184 89.050 C2H3NO3 CID: 974 oxamic acid SOWBFZRMHSNYGE-UHFFFAOYSA-N
185 137.13 C7H7NO2 CID: 978 4-aminobenzoic acid ALYNCZNDIQEVRV-UHFFFAOYSA-N
186 180.15 C9H8O4 CID: 979 3-(4-hydroxyphenyl)-2-oxopropanoic acid KKADPXVIOXHVKN-UHFFFAOYSA-N
187 139.10 C6H5NO3 CID: 980 4-nitrophenol BTJIUGUIPKRLHP-UHFFFAOYSA-N
188 256.42 C16H32O2 CID: 985 palmitic acid IPCSVZSSVZVIGE-UHFFFAOYSA-N
189 150.12 C5H10O5 CID: 993 5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol HMFHBZSHGGEWLO-UHFFFAOYSA-N
190 165.18 C9H11NO2 CID: 994 2-amino-3-phenylpropanoic acid COLNVLDHVKWLRT-UHFFFAOYSA-N
191 178.22 C14H10 CID: 995 phenanthrene YNPNZTXNASCQKK-UHFFFAOYSA-N
192 164.15 C9H8O3 CID: 997 2-oxo-3-phenylpropanoic acid BTNMPGBKDVTSJY-UHFFFAOYSA-N
193 120.14 C8H8O CID: 998 2-phenylacetaldehyde DTUQWGWMVIHBKE-UHFFFAOYSA-N
194 136.14 C8H8O2 CID: 999 2-phenylacetic acid WLJVXDMOQOGPHL-UHFFFAOYSA-N
195 137.17 C8H11NO CID: 1000 2-amino-1-phenylethanol ULSIYEODSMZIPX-UHFFFAOYSA-N
196 121.17 C8H11N CID: 1001 2-phenylethanamine BHHGXPLMPWCGHP-UHFFFAOYSA-N
197 97.995 H3O4P CID: 1004 phosphoric acid NBIIXXVUZAFLBC-UHFFFAOYSA-N
198 168.04 C3H5O6P CID: 1005 2-phosphonooxy-2-propenoic acid DTBNBXWJWCWCIK-UHFFFAOYSA-N
199 141.06 C2H8NO4P CID: 1015 2-aminoethyl dihydrogen phosphate SUHOOTKUPISOBE-UHFFFAOYSA-N
200 199.09 C4H10NO6P CID: 1016 2-amino-3-phosphonooxybutanoic acid USRGIUJOYOXOQJ-UHFFFAOYSA-N
201 166.13 C8H6O4 CID: 1017 phthalic acid XNGIFLGASWRNHJ-UHFFFAOYSA-N
202 123.10 C6H5NO2 CID: 1018 2-pyridinecarboxylic acid SIOXPEMLGUPBBT-UHFFFAOYSA-N
203 226.22 C10H14N2O4 CID: 1021 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid QSHWIQZFGQKFMA-UHFFFAOYSA-N
204 177.97 H4O7P2 CID: 1023 phosphono dihydrogen phosphate XPPKVPWEQAFLFU-UHFFFAOYSA-N
205 88.151 C4H12N2 CID: 1045 butane-1,4-diamine KIDHWZJUCRJVML-UHFFFAOYSA-N
206 247.14 C8H10NO6P CID: 1051 (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate NGVDGCNFYWLIFO-UHFFFAOYSA-N
207 169.17 C8H11NO3 CID: 1054 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol LXNHXLLTXMVWPM-UHFFFAOYSA-N
208 126.11 C6H6O3 CID: 1057 benzene-1,2,3-triol WQGWDDDVZFFDIG-UHFFFAOYSA-N
209 88.062 C3H4O3 CID: 1060 2-oxopropanoic acid LCTONWCANYUPML-UHFFFAOYSA-N
210 192.16 C7H12O6 CID: 1064 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid AAWZDTNXLSGCEK-UHFFFAOYSA-N
211 167.11 C7H5NO4 CID: 1066 pyridine-2,3-dicarboxylic acid GJAWHXHKYYXBSV-UHFFFAOYSA-N
212 179.19 C5H9NO4S CID: 1080 2-amino-3-(carboxymethylthio)propanoic acid GBFLZEXEOZUWRN-UHFFFAOYSA-N
213 276.28 C11H20N2O6 CID: 1087 2-[(5-amino-6-hydroxy-6-oxohexyl)amino]pentanedioic acid ZDGJAHTZVHVLOT-UHFFFAOYSA-N
214 89.093 C3H7NO2 CID: 1088 2-(methylamino)acetic acid FSYKKLYZXJSNPZ-UHFFFAOYSA-N
215 174.15 C7H10O5 CID: 1094 3,4,5-trihydroxy-1-cyclohexenecarboxylic acid JXOHGGNKMLTUBP-UHFFFAOYSA-N
216 180.15 C6H12O6 CID: 1101 1,3,4,5,6-pentahydroxy-2-hexanone BJHIKXHVCXFQLS-UHFFFAOYSA-N
217 145.24 C7H19N3 CID: 1102 N-(3-aminopropyl)butane-1,4-diamine ATHGHQPFGPMSJY-UHFFFAOYSA-N
218 202.34 C10H26N4 CID: 1103 N,N'-bis(3-aminopropyl)butane-1,4-diamine PFNFFQXMRSDOHW-UHFFFAOYSA-N
219 410.71 C30H50 CID: 1105 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene YYGNTYWPHWGJRM-UHFFFAOYSA-N
220 118.08 C4H6O4 CID: 1110 succinic acid KDYFGRWQOYBRFD-UHFFFAOYSA-N
221 102.08 C4H6O3 CID: 1112 4-oxobutanoic acid UIUJIQZEACWQSV-UHFFFAOYSA-N
222 98.078 H2O4S CID: 1118 sulfuric acid QAOWNCQODCNURD-UHFFFAOYSA-N
223 125.14 C2H7NO3S CID: 1123 2-aminoethanesulfonic acid XOAAWQZATWQOTB-UHFFFAOYSA-N
224 126.11 C5H6N2O2 CID: 1135 5-methyl-1H-pyrimidine-2,4-dione RWQNBRDOKXIBIV-UHFFFAOYSA-N
225 143.20 C6H9NOS CID: 1136 2-(4-methyl-5-thiazolyl)ethanol BKAWJIRCKVUVED-UHFFFAOYSA-N
226 204.22 C11H12N2O2 CID: 1148 2-amino-3-(1H-indol-3-yl)propanoic acid QIVBCDIJIAJPQS-UHFFFAOYSA-N
227 181.18 C9H11NO3 CID: 1153 2-amino-3-(4-hydroxyphenyl)propanoic acid OUYCCCASQSFEME-UHFFFAOYSA-N
228 112.08 C4H4N2O2 CID: 1174 1H-pyrimidine-2,4-dione ISAKRJDGNUQOIC-UHFFFAOYSA-N
229 168.11 C5H4N4O3 CID: 1175 7,9-dihydro-3H-purine-2,6,8-trione LEHOTFFKMJEONL-UHFFFAOYSA-N
230 60.055 CH4N2O CID: 1176 urea XSQUKJJJFZCRTK-UHFFFAOYSA-N
231 138.12 C6H6N2O2 CID: 1178 3-(1H-imidazol-5-yl)-2-propenoic acid LOIYMIARKYCTBW-UHFFFAOYSA-N
232 117.14 C5H11NO2 CID: 1182 2-amino-3-methylbutanoic acid KZSNJWFQEVHDMF-UHFFFAOYSA-N
233 152.14 C8H8O3 CID: 1183 4-hydroxy-3-methoxybenzaldehyde MWOOGOJBHIARFG-UHFFFAOYSA-N
234 152.11 C5H4N4O2 CID: 1188 3,7-dihydropurine-2,6-dione LRFVTYWOQMYALW-UHFFFAOYSA-N
235 284.22 C10H12N4O6 CID: 1189 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purine-2,6-dione UBORTCNDUKBEOP-UHFFFAOYSA-N
236 192.12 C6H8O7 CID: 1198 1-hydroxypropane-1,2,3-tricarboxylic acid ODBLHEXUDAPZAU-UHFFFAOYSA-N
237 198.17 C9H10O5 CID: 1245 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid CGQCWMIAEPEHNQ-UHFFFAOYSA-N
238 152.14 C8H8O3 CID: 1292 2-hydroxy-2-phenylacetic acid IWYDHOAUDWTVEP-UHFFFAOYSA-N
239 400.59 C23H44O5 CID: 1321 decanoic acid [1-(hydroxymethyl)-2-(1-oxodecoxy)ethyl] ester GNSDEDOVXZDMKM-UHFFFAOYSA-N
240 105.13 C4H11NO2 CID: 1531 2-amino-2-methylpropane-1,3-diol UXFQFBNBSPQBJW-UHFFFAOYSA-N
241 70.093 C3H6N2 CID: 1647 3-aminopropanenitrile AGSPXMVUFBBBMO-UHFFFAOYSA-N
242 162.14 C6H10O5 CID: 1662 3-hydroxy-3-methylpentanedioic acid NPOAOTPXWNWTSH-UHFFFAOYSA-N
243 182.17 C9H10O4 CID: 1738 2-(4-hydroxy-3-methoxyphenyl)acetic acid QRMZSPFSDQBLIX-UHFFFAOYSA-N
244 191.18 C10H9NO3 CID: 1826 2-(5-hydroxy-1H-indol-3-yl)acetic acid DUUGKQCEGZLZNO-UHFFFAOYSA-N
245 190.24 C11H14N2O CID: 1833 2-(5-methoxy-1H-indol-3-yl)ethanamine JTEJPPKMYBDEMY-UHFFFAOYSA-N
246 256.25 C15H12O4 CID: 1889 7-hydroxy-2-(4-hydroxyphenyl)-4-chromanone FURUXTVZLHCCNA-UHFFFAOYSA-N
247 75.066 C2H5NO2 CID: 1990 ethanehydroxamic acid RRUDCFGSUDOHDG-UHFFFAOYSA-N
248 173.20 C8H15NO3 CID: 1995 2-acetamido-4-methylpentanoic acid WXNXCEHXYPACJF-UHFFFAOYSA-N
249 246.26 C13H14N2O3 CID: 2002 2-acetamido-3-(1H-indol-3-yl)propanoic acid DZTHIGRZJZPRDV-UHFFFAOYSA-N
250 265.33 C12H15N3O2S CID: 2082 N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester HXHWSAZORRCQMX-UHFFFAOYSA-N
251 430.70 C29H50O2 CID: 2116 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol GVJHHUAWPYXKBD-UHFFFAOYSA-N
252 472.74 C31H52O3 CID: 2117 acetic acid [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanyl] ester ZAKOWWREFLAJOT-UHFFFAOYSA-N
253 162.23 C10H14N2 CID: 2181 3-(2-piperidinyl)pyridine MTXSIJUGVMTTMU-UHFFFAOYSA-N
254 286.40 C19H26O2 CID: 2193 10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione AEMFNILZOJDQLW-UHFFFAOYSA-N
255 180.15 C9H8O4 CID: 2244 2-acetoxybenzoic acid BSYNRYMUTXBXSQ-UHFFFAOYSA-N
256 188.22 C9H16O4 CID: 2266 nonanedioic acid BDJRBEYXGGNYIS-UHFFFAOYSA-N
257 121.13 C7H7NO CID: 2331 benzamide KXDAEFPNCMNJSK-UHFFFAOYSA-N
258 216.18 C12H8O4 CID: 2355 4-methoxy-7-furo[3,2-g]chromenone BGEBZHIAGXMEMV-UHFFFAOYSA-N
259 180.15 C9H8O4 CID: 2518 3-(3,4-dihydroxyphenyl)-2-propenoic acid QAIPRVGONGVQAS-UHFFFAOYSA-N
260 194.19 C8H10N4O2 CID: 2519 1,3,7-trimethylpurine-2,6-dione RYYVLZVUVIJVGH-UHFFFAOYSA-N
261 172.07 C3H9O6P CID: 2526 [2-hydroxy-1-(hydroxymethyl)ethyl] dihydrogen phosphate DHCLVCXQIBBOPH-UHFFFAOYSA-N
262 242.44 C16H34O CID: 2682 1-hexadecanol BXWNKGSJHAJOGX-UHFFFAOYSA-N
263 162.14 C6H10O5 CID: 2859 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol ZHMWOVGZCINIHW-UHFFFAOYSA-N
264 108.13 C7H8O CID: 2879 4-methylphenol IWDCLRJOBJJRNH-UHFFFAOYSA-N
265 129.15 C6H11NO2 CID: 2901 1-aminocyclopentanecarboxylic acid NILQLFBWTXNUOE-UHFFFAOYSA-N
266 172.26 C10H20O2 CID: 2969 decanoic acid GHVNFZFCNZKVNT-UHFFFAOYSA-N
267 301.50 C18H39NO2 CID: 3126 2-aminooctadecane-1,3-diol OTKJDMGTUTTYMP-UHFFFAOYSA-N
268 288.38 C18H24O3 CID: 3269 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol PROQIPRRNZUXQM-UHFFFAOYSA-N
269 138.05 C3H7O4P CID: 3417 (3-methyl-2-oxiranyl)phosphonic acid YMDXZJFXQJVXBF-UHFFFAOYSA-N
270 154.12 C7H6O4 CID: 3469 2,5-dihydroxybenzoic acid WXTMDXOMEHJXQO-UHFFFAOYSA-N
271 100.11 C5H8O2 CID: 3485 pentanedial SXRSQZLOMIGNAQ-UHFFFAOYSA-N
272 302.27 C16H14O6 CID: 3593 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone AIONOLUJZLIMTK-UHFFFAOYSA-N
273 76.054 CH4N2O2 CID: 3657 hydroxyurea VSNHCAURESNICA-UHFFFAOYSA-N
274 289.36 C17H23NO3 CID: 3661 3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester RKUNBYITZUJHSG-UHFFFAOYSA-N
275 147.17 C9H9NO CID: 3712 1H-indol-3-ylmethanol IVYPNXXAYMYVSP-UHFFFAOYSA-N
276 189.21 C11H11NO2 CID: 3744 3-(1H-indol-3-yl)propanoic acid GOLXRNDWAUTYKT-UHFFFAOYSA-N
277 174.15 C10H6O3 CID: 3806 5-hydroxynaphthalene-1,4-dione KQPYUDDGWXQXHS-UHFFFAOYSA-N
278 189.16 C10H7NO3 CID: 3845 4-oxo-1H-quinoline-2-carboxylic acid HCZHHEIFKROPDY-UHFFFAOYSA-N
279 166.17 C9H10O3 CID: 3848 2-hydroxy-3-phenylpropanoic acid VOXXWSYKYCBWHO-UHFFFAOYSA-N
280 169.07 C3H8NO5P CID: 3857 2-amino-3-phosphonopropanoic acid LBTABPSJONFLPO-UHFFFAOYSA-N
281 208.21 C11H12O4 CID: 3858 2-(phenylmethyl)butanedioic acid GTOFKXZQQDSVFH-UHFFFAOYSA-N
282 344.31 C12H24O11 CID: 3871 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol VQHSOMBJVWLPSR-UHFFFAOYSA-N
283 200.31 C12H24O2 CID: 3893 dodecanoic acid POULHZVOKOAJMA-UHFFFAOYSA-N
284 280.44 C18H32O2 CID: 3931 octadeca-9,12-dienoic acid OYHQOLUKZRVURQ-UHFFFAOYSA-N
285 216.18 C12H8O4 CID: 4114 9-methoxy-7-furo[3,2-g]chromenone QXKHYNVANLEOEG-UHFFFAOYSA-N
286 103.11 C4H9NO2 CID: 4377 2-(methylamino)propanoic acid GDFAOVXKHJXLEI-UHFFFAOYSA-N
287 108.09 C6H4O2 CID: 4650 1,4-benzoquinone AZQWKYJCGOJGHM-UHFFFAOYSA-N
288 254.40 C16H30O2 CID: 4668 9-hexadecenoic acid SECPZKHBENQXJG-UHFFFAOYSA-N
289 205.25 C9H19NO4 CID: 4678 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SNPLKNRPJHDVJA-UHFFFAOYSA-N
290 274.26 C15H14O5 CID: 4788 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone VGEREEWJJVICBM-UHFFFAOYSA-N
291 244.24 C14H12O4 CID: 4813 5-[2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol CDRPUGZCRXZLFL-UHFFFAOYSA-N
292 285.33 C17H19NO3 CID: 4840 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)-1-penta-2,4-dienone MXXWOMGUGJBKIW-UHFFFAOYSA-N
293 334.44 C20H30O4 CID: 4953 7-[2-(3-hydroxyoct-1-enyl)-5-oxo-1-cyclopent-3-enyl]-5-heptenoic acid MYHXHCUNDDAEOZ-UHFFFAOYSA-N
294 110.11 C6H6O2 CID: 5054 benzene-1,3-diol GHMLBKRAJCXXBS-UHFFFAOYSA-N
295 228.24 C14H12O3 CID: 5056 5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol LUKBXSAWLPMMSZ-UHFFFAOYSA-N
296 183.18 C7H5NO3S CID: 5143 1,1-dioxo-1,2-benzothiazol-3-one CVHZOJJKTDOEJC-UHFFFAOYSA-N
297 286.27 C13H18O7 CID: 5145 2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol NGFMICBWJRZIBI-UHFFFAOYSA-N
298 124.13 C7H8O2 CID: 5146 2-(hydroxymethyl)phenol CQRYARSYNCAZFO-UHFFFAOYSA-N
299 246.30 C15H18O3 CID: 5156 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione XJHDMGJURBVLLE-UHFFFAOYSA-N
300 176.21 C10H12N2O CID: 5202 3-(2-aminoethyl)-1H-indol-5-ol QZAYGJVTTNCVMB-UHFFFAOYSA-N
301 284.47 C18H36O2 CID: 5281 stearic acid QIQXTHQIDYTFRH-UHFFFAOYSA-N
302 288.42 C19H28O2 CID: 5408 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one MUMGGOZAMZWBJJ-UHFFFAOYSA-N
303 149.10 C4H7NO5 CID: 5425 2-amino-3-hydroxybutanedioic acid YYLQUHNPNCGKJQ-UHFFFAOYSA-N
304 137.17 C8H11NO CID: 5610 4-(2-aminoethyl)phenol DZGWFCGJZKJUFP-UHFFFAOYSA-N
305 89.093 C3H7NO2 CID: 5641 carbamic acid ethyl ester JOYRKODLDBILNP-UHFFFAOYSA-N
306 205.16 C10H7NO4 CID: 5699 8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid FBZONXHGGPHHIY-UHFFFAOYSA-N
307 346.46 C21H30O4 CID: 5753 (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one OMFXVFTZEKFJBZ-HJTSIMOOSA-N
308 362.45 C21H30O5 CID: 5754 (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one JYGXADMDTFJGBT-VWUMJDOOSA-N
309 288.38 C18H24O3 CID: 5756 (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol PROQIPRRNZUXQM-ZXXIGWHRSA-N
310 272.38 C18H24O2 CID: 5757 (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol VOXZDWNPVJITMN-ZBRFXRBCSA-N
311 166.20 C6H6N4S CID: 5778 6-(methylthio)-7H-purine UIJIQXGRFSPYQW-UHFFFAOYSA-N
312 182.17 C6H14O6 CID: 5780 (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol FBPFZTCFMRRESA-JGWLITMVSA-N
313 176.12 C6H8O6 CID: 5785 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone TYQCGQRIZGCHNB-JLAZNSOCSA-N
314 242.22 C10H14N2O5 CID: 5789 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione IQFYYKKMVGJFEH-XLPZGREQSA-N
315 109.12 C6H7NO CID: 5801 2-aminophenol CDAWCLOXVUBKRW-UHFFFAOYSA-N
316 131.12 C5H9NO3 CID: 5810 (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid PMMYEEVYMWASQN-DMTCNVIQSA-N
317 169.17 C8H11NO3 CID: 5814 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol SFLSHLFXELFNJZ-MRVPVSSYSA-N
318 183.20 C9H13NO3 CID: 5816 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol UCTWMZQNUQWSLP-VIFPVBQESA-N
319 360.44 C21H28O5 CID: 5839 (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carboxaldehyde PQSUYGKTWSAVDQ-ZVIOFETBSA-N
320 121.15 C3H7NO2S CID: 5862 (2R)-2-amino-3-mercaptopropanoic acid XUJNEKJLAYXESH-REOHCLBHSA-N
321 270.36 C18H22O2 CID: 5870 (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one DNXHEGUUPJUMQT-CBZIJGRNSA-N
322 290.44 C19H30O2 CID: 5879 (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one QGXBDMJGAMFCBF-HLUDHZFRSA-N
323 288.42 C19H28O2 CID: 5881 (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one FMGSKLZLMKYGDP-USOAJAOKSA-N
324 223.26 C15H13NO CID: 5897 N-(9H-fluoren-2-yl)acetamide CZIHNRWJTSTCEX-UHFFFAOYSA-N
325 89.093 C3H7NO2 CID: 5950 (2S)-2-aminopropanoic acid QNAYBMKLOCPYGJ-REOHCLBHSA-N
326 105.09 C3H7NO3 CID: 5951 (2S)-2-amino-3-hydroxypropanoic acid MTCFGRXMJLQNBG-REOHCLBHSA-N
327 190.15 C9H6N2O3 CID: 5955 4-nitro-1-oxidoquinolin-1-ium YHQDZJICGQWFHK-UHFFFAOYSA-N
328 133.10 C4H7NO4 CID: 5960 (2S)-2-aminobutanedioic acid CKLJMWTZIZZHCS-REOHCLBHSA-N
329 146.14 C5H10N2O3 CID: 5961 (2S)-2,5-diamino-5-oxopentanoic acid ZDXPYRJPNDTMRX-VKHMYHEASA-N
330 146.18 C6H14N2O2 CID: 5962 (2S)-2,6-diaminohexanoic acid KDXKERNSBIXSRK-YFKPBYRVSA-N
331 180.15 C6H12O6 CID: 5984 (3S,4R,5R)-1,3,4,5,6-pentahydroxy-2-hexanone BJHIKXHVCXFQLS-UYFOZJQFSA-N
332 342.29 C12H22O11 CID: 5988 (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CZMRCDWAGMRECN-UGDNZRGBSA-N
333 314.46 C21H30O2 CID: 5994 (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one RJKFOVLPORLFTN-LEKSSAKUSA-N
334 386.65 C27H46O CID: 5997 (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol HVYWMOMLDIMFJA-DPAQBDIFSA-N
335 288.42 C19H28O2 CID: 6013 (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one MUMGGOZAMZWBJJ-DYKIIFRCSA-N
336 268.22 C10H12N4O5 CID: 6021 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one UGQMRVRMYYASKQ-KQYNXXCUSA-N
337 244.20 C9H12N2O6 CID: 6029 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione DRTQHJPVMGBUCF-XVFCMESISA-N
338 324.18 C9H13N2O9P CID: 6030 [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate DJJCXFVJDGTHFX-XVFCMESISA-N
339 180.15 C6H12O6 CID: 6036 (3R,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-SVZMEOIVSA-N
340 145.15 C9H7NO CID: 6038 1H-quinolin-2-one LISFMEBWQUVKPJ-UHFFFAOYSA-N
341 197.18 C9H11NO4 CID: 6047 (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid WTDRDQBEARUVNC-LURJTMIESA-N
342 225.28 C14H15N3 CID: 6053 N,N-dimethyl-4-phenylazoaniline JCYPECIVGRXBMO-UHFFFAOYSA-N
343 122.16 C8H10O CID: 6054 2-phenylethanol WRMNZCZEMHIOCP-UHFFFAOYSA-N
344 181.18 C9H11NO3 CID: 6057 (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid OUYCCCASQSFEME-QMMMGPOBSA-N
345 77.149 C2H7NS CID: 6058 2-aminoethanethiol UFULAYFCSOUIOV-UHFFFAOYSA-N
346 211.25 C11H17NO3 CID: 6082 2-amino-1-(2,5-dimethoxyphenyl)-1-propanol WJAJPNHVVFWKKL-UHFFFAOYSA-N
347 172.20 C7H8O3S CID: 6101 4-methylbenzenesulfonic acid JOXIMZWYDAKGHI-UHFFFAOYSA-N
348 131.17 C6H13NO2 CID: 6106 (2S)-2-amino-4-methylpentanoic acid ROHFNLRQFUQHCH-YFKPBYRVSA-N
349 206.32 C8H14O2S2 CID: 6112 5-[(3R)-3-dithiolanyl]pentanoic acid AGBQKNBQESQNJD-SSDOTTSWSA-N
350 93.126 C6H7N CID: 6115 aniline PAYRUJLWNCNPSJ-UHFFFAOYSA-N
351 286.40 C19H26O2 CID: 6128 (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione AEMFNILZOJDQLW-QAGGRKNESA-N
352 323.19 C9H14N3O8P CID: 6131 [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate IERHLVCPSMICTF-XVFCMESISA-N
353 149.21 C5H11NO2S CID: 6137 (2S)-2-amino-4-(methylthio)butanoic acid FFEARJCKVFRZRR-BYPYZUCNSA-N
354 182.17 C6H14O6 CID: 6251 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol FBPFZTCFMRRESA-KVTDHHQDSA-N
355 342.29 C12H22O11 CID: 6255 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol GUBGYTABKSRVRQ-QUYVBRFLSA-N
356 132.16 C5H12N2O2 CID: 6262 (2S)-2,5-diaminopentanoic acid AHLPHDHHMVZTML-BYPYZUCNSA-N
357 155.15 C6H9N3O2 CID: 6274 (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid HNDVDQJCIGZPNO-YFKPBYRVSA-N
358 117.14 C5H11NO2 CID: 6287 (2S)-2-amino-3-methylbutanoic acid KZSNJWFQEVHDMF-BYPYZUCNSA-N
359 119.11 C4H9NO3 CID: 6288 (2S,3R)-2-amino-3-hydroxybutanoic acid AYFVYJQAPQTCCC-GBXIJSLDSA-N
360 240.21 C14H8O4 CID: 6293 1,2-dihydroxyanthracene-9,10-dione RGCKGOZRHPZPFP-UHFFFAOYSA-N
361 204.22 C11H12N2O2 CID: 6305 (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid QIVBCDIJIAJPQS-VIFPVBQESA-N
362 131.17 C6H13NO2 CID: 6306 (2S,3S)-2-amino-3-methylpentanoic acid AGPKZVBTJJNPAG-WHFBIAKZSA-N
363 174.20 C6H14N4O2 CID: 6322 (2S)-2-amino-5-guanidinopentanoic acid ODKSFYDXXFIFQN-BYPYZUCNSA-N
364 192.16 C7H12O6 CID: 6508 (3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid AAWZDTNXLSGCEK-LNVDRNJUSA-N
365 219.23 C9H17NO5 CID: 6613 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid GHOKWGTUZJEAQD-ZETCQYMHSA-N
366 388.66 C27H48O CID: 6665 (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol QYIXCDOBOSTCEI-QCYZZNICSA-N
367 183.16 C8H9NO4 CID: 6723 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid HXACOUQIXZGNBF-UHFFFAOYSA-N
368 182.17 C12H6O2 CID: 6724 acenaphthylene-1,2-dione AFPRJLBZLPBTPZ-UHFFFAOYSA-N
369 132.15 C9H8O CID: 6735 1-indanone QNXSIUBBGPHDDE-UHFFFAOYSA-N
370 222.23 C12H14O4 CID: 6781 benzene-1,2-dicarboxylic acid diethyl ester FLKPEMZONWLCSK-UHFFFAOYSA-N
371 283.24 C10H13N5O5 CID: 6802 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one NYHBQMYGNKIUIF-UUOKFMHZSA-N
372 363.22 C10H14N5O8P CID: 6804 [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate RQFCJASXJCIDSX-UUOKFMHZSA-N
373 188.17 C11H8O3 CID: 6844 1-hydroxy-2-naphthalenecarboxylic acid SJJCQDRGABAVBB-UHFFFAOYSA-N
374 166.21 C13H10 CID: 6853 9H-fluorene NIHNNTQXNPWCJQ-UHFFFAOYSA-N
375 167.20 C12H9N CID: 6854 9H-carbazole UJOBWOGCFQCDNV-UHFFFAOYSA-N
376 180.15 C6H12O6 CID: 6904 (3S,4R,5S)-1,3,4,5,6-pentahydroxy-2-hexanone BJHIKXHVCXFQLS-OTWZMJIISA-N
377 152.14 C5H12O5 CID: 6912 (2S,4R)-pentane-1,2,3,4,5-pentol HEBKCHPVOIAQTA-NGQZWQHPSA-N
378 112.08 C5H4O3 CID: 6919 2-furancarboxylic acid SMNDYUVBFMFKNZ-UHFFFAOYSA-N
379 173.19 C6H7NO3S CID: 6926 2-aminobenzenesulfonic acid ZMCHBSMFKQYNKA-UHFFFAOYSA-N
380 150.21 C10H14O CID: 6989 2-isopropyl-5-methylphenol MGSRCZKZVOBKFT-UHFFFAOYSA-N
381 122.12 C7H6O2 CID: 6998 2-hydroxybenzaldehyde SMQUZDBALVYZAC-UHFFFAOYSA-N
382 170.20 C12H10O CID: 7017 2-phenylphenol LLEMOWNGBBNAJR-UHFFFAOYSA-N
383 154.20 C12H10 CID: 7095 phenylbenzene ZUOUZKKEUPVFJK-UHFFFAOYSA-N
384 173.16 C10H7NO2 CID: 7124 2-quinolinecarboxylic acid LOAUVZALPPNFOQ-UHFFFAOYSA-N
385 177.15 C6H11NO5 CID: 7152 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid JYXGIOKAKDAARW-UHFFFAOYSA-N
386 167.20 C9H13NO2 CID: 7172 4-[1-hydroxy-2-(methylamino)ethyl]phenol YRCWQPVGYLYSOX-UHFFFAOYSA-N
387 135.18 C7H5NS CID: 7222 1,3-benzothiazole IOJUPLGTWVMSFF-UHFFFAOYSA-N
388 358.29 C12H22O12 CID: 7314 (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid JYTUSYBCFIZPBE-AMTLMPIISA-N
389 129.11 C5H7NO3 CID: 7405 (2S)-5-oxo-2-pyrrolidinecarboxylic acid ODHCTXKNWHHXJC-VKHMYHEASA-N
390 120.14 C8H8O CID: 7410 1-phenylethanone KWOLFJPFCHCOCG-UHFFFAOYSA-N
391 128.16 C7H12O2 CID: 7413 cyclohexanecarboxylic acid NZNMSOFKMUBTKW-UHFFFAOYSA-N
392 138.12 C7H6O3 CID: 7420 3-hydroxybenzoic acid IJFXRHURBJZNAO-UHFFFAOYSA-N
393 342.29 C12H22O11 CID: 7427 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol HDTRYLNUVZCQOY-LIZSDCNHSA-N
394 184.14 C8H8O5 CID: 7428 3,4,5-trihydroxybenzoic acid methyl ester FBSFWRHWHYMIOG-UHFFFAOYSA-N
395 150.21 C10H14O CID: 7439 5-isopropenyl-2-methyl-1-cyclohex-2-enone ULDHMXUKGWMISQ-UHFFFAOYSA-N
396 134.21 C10H14 CID: 7463 1-isopropyl-4-methylbenzene HFPZCAJZSCWRBC-UHFFFAOYSA-N
397 136.19 C8H12N2 CID: 7472 N1,N1-dimethylbenzene-1,4-diamine BZORFPDSXLZWJF-UHFFFAOYSA-N
398 152.14 C8H8O3 CID: 7478 4-methoxybenzoic acid ZEYHEAKUIGZSGI-UHFFFAOYSA-N
399 166.13 C8H6O4 CID: 7489 terephthalic acid KKEYFWRCBNTPAC-UHFFFAOYSA-N
400 107.15 C7H9N CID: 7504 phenylmethanamine WGQKYBSKWIADBV-UHFFFAOYSA-N
401 107.15 C7H9N CID: 7515 N-methylaniline AFBPFSWMIHJQDM-UHFFFAOYSA-N
402 179.23 C6H13NO3S CID: 7533 cyclohexylsulfamic acid HCAJEUSONLESMK-UHFFFAOYSA-N
403 162.18 C10H10O2 CID: 7644 3-phenyl-2-propenoic acid methyl ester CCRCUPLGCSFEDV-UHFFFAOYSA-N
404 176.21 C11H12O2 CID: 7649 3-phenyl-2-propenoic acid ethyl ester KBEBGUQPQBELIU-UHFFFAOYSA-N
405 135.16 C8H9NO CID: 7680 2-phenylacetamide LSBDFXRDZJMBSC-UHFFFAOYSA-N
406 130.22 C8H18O CID: 7720 2-ethyl-1-hexanol YIWUKEYIRIRTPP-UHFFFAOYSA-N
407 113.15 C6H11NO CID: 7768 2-azepanone JBKVHLHDHHXQEQ-UHFFFAOYSA-N
408 172.26 C10H20O2 CID: 7799 octanoic acid ethyl ester YYZUSRORWSJGET-UHFFFAOYSA-N
409 228.37 C14H28O2 CID: 7800 dodecanoic acid ethyl ester MMXKVMNBHPAILY-UHFFFAOYSA-N
410 102.09 C3H6N2O2 CID: 7911 propanediamide WRIRWRKPLXCTFD-UHFFFAOYSA-N
411 103.08 C2H5N3O2 CID: 7913 carbamoylurea OHJMTUPIZMNBFR-UHFFFAOYSA-N
412 99.174 C6H13N CID: 7965 cyclohexanamine PAFZNILMFXTMIY-UHFFFAOYSA-N
413 95.099 C5H5NO CID: 7971 3-pyridinol GRFNBEZIAWKNCO-UHFFFAOYSA-N
414 186.29 C11H22O2 CID: 8050 decanoic acid methyl ester YRHYCMZPEVDGFQ-UHFFFAOYSA-N
415 86.089 C4H6O2 CID: 8066 2-butyne-1,4-diol DLDJFQGPPSQZKI-UHFFFAOYSA-N
416 133.18 C6H15NO2 CID: 8086 1-(2-hydroxypropylamino)-2-propanol LVTYICIALWPMFW-UHFFFAOYSA-N
417 158.23 C9H18O2 CID: 8091 octanoic acid methyl ester JGHZJRVDZXSNKQ-UHFFFAOYSA-N
418 130.18 C7H14O2 CID: 8094 heptanoic acid MNWFXJYAOYHMED-UHFFFAOYSA-N
419 214.34 C13H26O2 CID: 8139 dodecanoic acid methyl ester UQDUPQYQJKYHQI-UHFFFAOYSA-N
420 158.23 C9H18O2 CID: 8158 nonanoic acid FBUKVWPVBMHYJY-UHFFFAOYSA-N
421 158.28 C10H22O CID: 8174 1-decanol MWKFXSUHUHTGQN-UHFFFAOYSA-N
422 270.45 C17H34O2 CID: 8181 hexadecanoic acid methyl ester FLIACVVOZYBSBS-UHFFFAOYSA-N
423 186.33 C12H26O CID: 8193 1-dodecanol LQZZUXJYWNFBMV-UHFFFAOYSA-N
424 298.50 C19H38O2 CID: 8201 octadecanoic acid methyl ester HPEUJPJOZXNMSJ-UHFFFAOYSA-N
425 340.58 C22H44O2 CID: 8215 docosanoic acid UKMSUNONTOPOIO-UHFFFAOYSA-N
426 270.49 C18H38O CID: 8221 1-octadecanol GLDOVTGHNKAZLK-UHFFFAOYSA-N
427 282.54 C20H42 CID: 8222 icosane CBFCDTFDPHXCNY-UHFFFAOYSA-N
428 74.078 C3H6O2 CID: 8299 1-hydroxy-2-propanone XLSMFKSTNGKWQX-UHFFFAOYSA-N
429 390.55 C24H38O4 CID: 8343 benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester BJQHLKABXJIVAM-UHFFFAOYSA-N
430 284.78 C6Cl6 CID: 8370 1,2,3,4,5,6-hexachlorobenzene CKAPSXZOOQJIBF-UHFFFAOYSA-N
431 136.14 C8H8O2 CID: 8375 1-(2-hydroxyphenyl)ethanone JECYUBVRTQDVAT-UHFFFAOYSA-N
432 212.24 C14H12O2 CID: 8400 2-hydroxy-1,2-di(phenyl)ethanone ISAOCJYIOMOJEB-UHFFFAOYSA-N
433 150.13 C8H6O3 CID: 8406 2-formylbenzoic acid DYNFCHNNOHNJFG-UHFFFAOYSA-N
434 166.17 C9H10O3 CID: 8419 3,4-dimethoxybenzaldehyde WJUFSDZVCOTFON-UHFFFAOYSA-N
435 149.21 C8H7NS CID: 8446 2-methyl-1,3-benzothiazole DXYYSGDWQCSKKO-UHFFFAOYSA-N
436 168.14 C8H8O4 CID: 8468 4-hydroxy-3-methoxybenzoic acid WKOLLVMJNQIZCI-UHFFFAOYSA-N
437 224.21 C14H8O3 CID: 8512 1-hydroxyanthracene-9,10-dione BTLXPCBPYBNQNR-UHFFFAOYSA-N
438 348.20 C10H13N4O8P CID: 8582 [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate GRSZFWQUAKGDAV-KQYNXXCUSA-N
439 144.21 C8H16O2 CID: 8697 2-ethylhexanoic acid OBETXYAYXDNJHR-UHFFFAOYSA-N
440 174.15 C7H10O5 CID: 8742 (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid JXOHGGNKMLTUBP-HSUXUTPPSA-N
441 148.15 C9H8O2 CID: 8784 3-phenyl-2-propenoic acid WBYWAXJHAXSJNI-UHFFFAOYSA-N
442 152.23 C10H16O CID: 8843 3,7-dimethylocta-2,6-dienal WTEVQBCEXWBHNA-UHFFFAOYSA-N
443 95.099 C5H5NO CID: 8871 1H-pyridin-2-one UBQKCCHYAOITMY-UHFFFAOYSA-N
444 116.15 C6H12O2 CID: 8892 hexanoic acid FUZZWVXGSFPDMH-UHFFFAOYSA-N
445 133.10 C4H7NO4 CID: 8897 2-(carboxymethylamino)acetic acid NBZBKCUXIYYUSX-UHFFFAOYSA-N
446 144.25 C9H20O CID: 8914 1-nonanol ZWRUINPWMLAQRD-UHFFFAOYSA-N
447 346.46 C21H30O4 CID: 9050 (17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one WHBHBVVOGNECLV-VLAJLFEZSA-N
448 290.26 C15H14O6 CID: 9064 (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol PFTAWBLQPZVEMU-DZGCQCFKSA-N
449 292.45 C19H32O2 CID: 9316 octadeca-9,12,15-trienoic acid methyl ester DVWSXZIHSUZZKJ-UHFFFAOYSA-N
450 182.17 C9H10O4 CID: 9378 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid JVGVDSSUAVXRDY-UHFFFAOYSA-N
451 275.19 C10H14NO6P CID: 9395 phosphoric acid diethyl (4-nitrophenyl) ester WYMSBXTXOHUIGT-UHFFFAOYSA-N
452 131.17 C6H13NO2 CID: 9475 2-aminohexanoic acid LRQKBLKVPFOOQJ-UHFFFAOYSA-N
453 354.30 C16H18O9 CID: 9476 (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid CWVRJTMFETXNAD-NCZKRNLISA-N
454 126.11 C4H6N4O CID: 9679 4-amino-1H-imidazole-5-carboxamide DVNYTAVYBRSTGK-UHFFFAOYSA-N
455 444.73 C30H52O2 CID: 9698 2,5,7,8-tetramethyl-2-(5,9,13-trimethyltetradecyl)-6-chromanol MGVUEHOYGMMEJV-UHFFFAOYSA-N
456 322.20 C10H15N2O8P CID: 9700 [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate GYOZYWVXFNDGLU-XLPZGREQSA-N
457 175.18 C6H13N3O3 CID: 9750 (2S)-2-amino-5-ureidopentanoic acid RHGKLRLOHDJJDR-BYPYZUCNSA-N
458 300.39 C19H24O3 CID: 9791 10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione RZRPTBIGEANTGU-UHFFFAOYSA-N
459 124.13 C7H8O2 CID: 9958 4-methylbenzene-1,2-diol ZBCATMYQYDCTIZ-UHFFFAOYSA-N
460 178.18 C10H10O3 CID: 9984 3-(4-hydroxy-3-methoxyphenyl)-2-propenal DKZBBWMURDFHNE-UHFFFAOYSA-N
461 88.065 C2H4N2O2 CID: 10113 oxamide YIKSCQDJHCMVMK-UHFFFAOYSA-N
462 194.22 C14H10O CID: 10229 9-phenanthrenol DZKIUEHLEXLYKM-UHFFFAOYSA-N
463 180.20 C13H8O CID: 10241 9-fluorenone YLQWCDOCJODRMT-UHFFFAOYSA-N
464 173.16 C10H7NO2 CID: 10243 4-quinolinecarboxylic acid VQMSRUREDGBWKT-UHFFFAOYSA-N
465 164.12 C6H4N4O2 CID: 10250 1H-pteridine-2,4-dione UYEUUXMDVNYCAM-UHFFFAOYSA-N
466 224.25 C15H12O2 CID: 10251 2-phenyl-4-chromanone ZONYXWQDUYMKFB-UHFFFAOYSA-N
467 195.17 C9H9NO4 CID: 10253 2-[[(2-hydroxyphenyl)-oxomethyl]amino]acetic acid ONJSZLXSECQROL-UHFFFAOYSA-N
468 167.11 C7H5NO4 CID: 10367 pyridine-2,6-dicarboxylic acid WJJMNDUMQPNECX-UHFFFAOYSA-N
469 138.16 C8H10O2 CID: 10393 4-(2-hydroxyethyl)phenol YCCILVSKPBXVIP-UHFFFAOYSA-N
470 166.17 C9H10O3 CID: 10394 3-(4-hydroxyphenyl)propanoic acid NMHMNPHRMNGLLB-UHFFFAOYSA-N
471 130.14 C6H10O3 CID: 10428 4-hydroxy-4-methyl-2-tetrahydropyranone JYVXNLLUYHCIIH-UHFFFAOYSA-N
472 112.12 C6H8O2 CID: 10434 cyclohexane-1,3-dione HJSLFCCWAKVHIW-UHFFFAOYSA-N
473 124.13 C7H8O2 CID: 10436 5-methylbenzene-1,3-diol OIPPWFOQEKKFEE-UHFFFAOYSA-N
474 270.45 C17H34O2 CID: 10465 heptadecanoic acid KEMQGTRYUADPNZ-UHFFFAOYSA-N
475 312.53 C20H40O2 CID: 10467 icosanoic acid VKOBVWXKNCXXDE-UHFFFAOYSA-N
476 396.68 C26H52O2 CID: 10469 hexacosanoic acid XMHIUKTWLZUKEX-UHFFFAOYSA-N
477 302.45 C20H30O2 CID: 10569 (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid RSWGJHLUYNHPMX-ONCXSQPRSA-N
478 364.47 C21H32O5 CID: 10592 (17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one ACSFOIGNUQUIGE-JYJHGPBPSA-N
479 290.44 C19H30O2 CID: 10635 (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one NVKAWKQGWWIWPM-ABEVXSGRSA-N
480 222.23 C15H10O2 CID: 10680 2-phenyl-1-benzopyran-4-one VHBFFQKBGNRLFZ-UHFFFAOYSA-N
481 161.20 C10H11NO CID: 10685 2-(1H-indol-3-yl)ethanol MBBOMCVGYCRMEA-UHFFFAOYSA-N
482 196.15 C6H12O7 CID: 10690 (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid RGHNJXZEOKUKBD-SQOUGZDYSA-N
483 342.29 C12H22O11 CID: 10712 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol GUBGYTABKSRVRQ-QRZGKKJRSA-N
484 166.17 C9H10O3 CID: 10726 3-hydroxy-2-phenylpropanoic acid JACRWUWPXAESPB-UHFFFAOYSA-N
485 179.13 C6H5N5O2 CID: 10729 2-amino-1,8-dihydropteridine-4,7-dione GLKCOBIIZKYKFN-UHFFFAOYSA-N
486 198.17 C9H10O5 CID: 10742 4-hydroxy-3,5-dimethoxybenzoic acid JMSVCTWVEWCHDZ-UHFFFAOYSA-N
487 133.14 C8H7NO CID: 10758 2-hydroxy-2-phenylacetonitrile NNICRUQPODTGRU-UHFFFAOYSA-N
488 126.11 C6H6O3 CID: 10787 benzene-1,2,4-triol GGNQRNBDZQJCCN-UHFFFAOYSA-N
489 164.20 C10H12O2 CID: 10820 4-isopropylbenzoic acid CKMXAIVXVKGGFM-UHFFFAOYSA-N
490 162.20 C7H16NO3 CID: 10918 [(2R)-2,4-dihydroxy-4-oxobutyl]-trimethylammonium PHIQHXFUZVPYII-ZCFIWIBFSA-O
491 97.072 C4H3NO2 CID: 10935 pyrrole-2,5-dione PEEHTFAAVSWFBL-UHFFFAOYSA-N
492 228.37 C14H28O2 CID: 11005 tetradecanoic acid TUNFSRHWOTWDNC-UHFFFAOYSA-N
493 226.44 C16H34 CID: 11006 hexadecane DCAYPVUWAIABOU-UHFFFAOYSA-N
494 216.25 C8H12N2O3S CID: 11082 (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid NGHVIOIJCVXTGV-ALEPSDHESA-N
495 115.08 C4H5NO3 CID: 11187 4-amino-4-oxo-2-butenoic acid FSQQTNAZHBEJLS-UHFFFAOYSA-N
496 368.63 C24H48O2 CID: 11197 tetracosanoic acid QZZGJDVWLFXDLK-UHFFFAOYSA-N
497 104.10 C4H8O3 CID: 11266 2-hydroxybutanoic acid AFENDNXGAFYKQO-UHFFFAOYSA-N
498 189.16 C10H7NO3 CID: 11321 1-acetylindoline-2,3-dione LPGDEHBASRKTDG-UHFFFAOYSA-N
499 342.29 C12H22O11 CID: 11333 (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)-3-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol JCQLYHFGKNRPGE-FCVZTGTOSA-N
500 238.23 C15H10O3 CID: 11349 3-hydroxy-2-phenyl-1-benzopyran-4-one HVQAJTFOCKOKIN-UHFFFAOYSA-N
501 122.16 C8H10O CID: 11476 (3-methylphenyl)methanol JJCKHVUTVOPLBV-UHFFFAOYSA-N
502 122.16 C8H10O CID: 11505 (4-methylphenyl)methanol KMTDMTZBNYGUNX-UHFFFAOYSA-N
503 130.22 C8H18O CID: 11527 3-octanol NMRPBPVERJPACX-UHFFFAOYSA-N
504 380.73 C27H56 CID: 11636 heptacosane BJQWYEJQWHSSCJ-UHFFFAOYSA-N
505 146.14 C6H10O4 CID: 11701 2,2-dimethylbutanedioic acid GOHPTLYPQCTZSE-UHFFFAOYSA-N
506 251.90 C6H4Br2O CID: 11847 2,6-dibromophenol SSIZLKDLDKIHEV-UHFFFAOYSA-N
507 146.14 C6H10O4 CID: 11848 2,3-dimethylbutanedioic acid KLZYRCVPDWTZLH-UHFFFAOYSA-N
508 150.13 C8H6O3 CID: 11915 2-oxo-2-phenylacetic acid FAQJJMHZNSSFSM-UHFFFAOYSA-N
509 152.14 C8H8O3 CID: 11970 2-(2-hydroxyphenyl)acetic acid CCVYRRGZDBSHFU-UHFFFAOYSA-N
510 132.15 C9H8O CID: 11983 2-indanone UMJJFEIKYGFCAT-UHFFFAOYSA-N
511 251.90 C6H4Br2O CID: 12005 2,4-dibromophenol FAXWFCTVSHEODL-UHFFFAOYSA-N
512 163.19 C5H9NO3S CID: 12035 (2R)-2-acetamido-3-mercaptopropanoic acid PWKSKIMOESPYIA-BYPYZUCNSA-N
513 146.14 C6H10O4 CID: 12046 2-methylpentanedioic acid AQYCMVICBNBXNA-UHFFFAOYSA-N
514 152.14 C8H8O3 CID: 12122 2-(3-hydroxyphenyl)acetic acid FVMDYYGIDFPZAX-UHFFFAOYSA-N
515 146.14 C6H10O4 CID: 12284 3-methylpentanedioic acid XJMMNTGIMDZPMU-UHFFFAOYSA-N
516 95.099 C5H5NO CID: 12290 1H-pyridin-4-one GCNTZFIIOFTKIY-UHFFFAOYSA-N
517 144.17 C6H12N2O2 CID: 12364 hexanediamide GVNWZKBFMFUVNX-UHFFFAOYSA-N
518 224.42 C16H32 CID: 12395 1-hexadecene GQEZCXVZFLOKMC-UHFFFAOYSA-N
519 466.82 C31H62O2 CID: 12400 triacontanoic acid methyl ester BIRUBGLRQLAEFF-UHFFFAOYSA-N
520 408.78 C29H60 CID: 12409 nonacosane IGGUPRCHHJZPBS-UHFFFAOYSA-N
521 111.09 C5H5NO2 CID: 12473 1H-pyrrole-2-carboxylic acid WRHZVMBBRYBTKZ-UHFFFAOYSA-N
522 112.12 C6H8O2 CID: 12511 cyclohexane-1,4-dione DCZFGQYXRKMVFG-UHFFFAOYSA-N
523 338.65 C24H50 CID: 12592 tetracosane POOSGDOYLQNASK-UHFFFAOYSA-N
524 119.11 C4H9NO3 CID: 12647 (2S)-2-amino-4-hydroxybutanoic acid UKAUYVFTDYCKQA-VKHMYHEASA-N
525 126.11 C6H6O3 CID: 12663 2-hydroxy-6-methyl-4-pyranone OOKCZXGEYPSNIM-UHFFFAOYSA-N
526 99.131 C5H9NO CID: 12665 2-piperidinone XUWHAWMETYGRKB-UHFFFAOYSA-N
527 174.09 C6H7O4P CID: 12793 phenyl dihydrogen phosphate CMPQUABWPXYYSH-UHFFFAOYSA-N
528 112.12 C6H8O2 CID: 13006 cyclohexane-1,2-dione OILAIQUEIWYQPH-UHFFFAOYSA-N
529 127.18 C7H13NO CID: 13017 N-cyclohexylformamide SWGXDLRCJNEEGZ-UHFFFAOYSA-N
530 112.02 CH5O4P CID: 13130 methyl dihydrogen phosphate CAAULPUQFIIOTL-UHFFFAOYSA-N
531 114.10 C4H6N2O2 CID: 13538 2-amino-3-cyanopropanoic acid BXRLWGXPSRYJDZ-UHFFFAOYSA-N
532 354.61 C23H46O2 CID: 13584 docosanoic acid methyl ester QSQLTHHMFHEFIY-UHFFFAOYSA-N
533 116.15 C6H12O2 CID: 13601 cyclohexane-1,2-diol PFURGBBHAOXLIO-UHFFFAOYSA-N
534 228.20 C9H12N2O5 CID: 13712 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione MXHRCPNRJAMMIM-SHYZEUOFSA-N
535 251.24 C10H13N5O3 CID: 13730 (2R,3S,5R)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol OLXZPDWKRNYJJZ-RRKCRQDMSA-N
536 242.39 C15H30O2 CID: 13849 pentadecanoic acid WQEPLUUGTLDZJY-UHFFFAOYSA-N
537 307.19 C9H14N3O7P CID: 13945 [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate NCMVOABPESMRCP-SHYZEUOFSA-N
538 326.55 C21H42O2 CID: 14259 icosanoic acid methyl ester QGBRLVONZXHAKJ-UHFFFAOYSA-N
539 209.19 C10H11NO4 CID: 14349 2-[[oxo(phenylmethoxy)methyl]amino]acetic acid CJUMAFVKTCBCJK-UHFFFAOYSA-N
540 132.15 C6H12O3 CID: 14490 6-hydroxyhexanoic acid IWHLYPDWHHPVAA-UHFFFAOYSA-N
541 330.50 C19H38O4 CID: 14900 hexadecanoic acid 2,3-dihydroxypropyl ester QHZLMUACJMDIAE-UHFFFAOYSA-N
542 172.26 C10H20O2 CID: 15606 nonanoic acid methyl ester IJXHLVMUNBOGRR-UHFFFAOYSA-N
543 284.47 C18H36O2 CID: 15609 heptadecanoic acid methyl ester HUEBIMLTDXKIPR-UHFFFAOYSA-N
544 244.37 C14H28O3 CID: 16064 3-hydroxytetradecanoic acid ATRNZOYKSNPPBF-UHFFFAOYSA-N
545 197.23 C8H15N5O CID: 16553 2-(ethylamino)-6-(isopropylamino)-1H-1,3,5-triazin-4-one NFMIMWNQWAWNDW-UHFFFAOYSA-N
546 164.15 C6H12O5 CID: 17106 (3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol SHZGCJCMOBCMKK-DHVFOXMCSA-N
547 149.21 C8H7NS CID: 18170 thiocyanic acid phenylmethyl ester ABNDFSOIUFLJAH-UHFFFAOYSA-N
548 145.15 C6H11NO3 CID: 18189 4-acetamidobutanoic acid UZTFMUBKZQVKLK-UHFFFAOYSA-N
549 106.12 C4H10O3 CID: 18302 butane-1,2,4-triol ARXKVVRQIIOZGF-UHFFFAOYSA-N
550 130.14 C6H10O3 CID: 18407 5-oxohexanoic acid MGTZCLMLSSAXLD-UHFFFAOYSA-N
551 180.15 C6H12O6 CID: 18950 (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-QTVWNMPRSA-N
552 205.20 C11H11NO3 CID: 18986 2-(5-methoxy-1H-indol-3-yl)acetic acid COCNDHOPIHDTHK-UHFFFAOYSA-N
553 154.25 C4H10O2S2 CID: 19001 1,4-dimercaptobutane-2,3-diol VHJLVAABSRFDPM-UHFFFAOYSA-N
554 464.63 C27H44O6 CID: 19212 (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethylhexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one UPEZCKBFRMILAV-JMZLNJERSA-N
555 290.44 C19H30O2 CID: 19274 (3S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol CVCDJRPXEWJAAY-UVSUZTNJSA-N
556 182.17 C9H10O4 CID: 19844 4-hydroxy-3-methoxybenzoic acid methyl ester BVWTXUYLKBHMOX-UHFFFAOYSA-N
557 278.34 C16H22O4 CID: 20393 2-[2-ethylhexoxy(oxo)methyl]benzoic acid DJDSLBVSSOQSLW-UHFFFAOYSA-N
558 131.17 C6H13NO2 CID: 21236 (2S)-2-aminohexanoic acid LRQKBLKVPFOOQJ-YFKPBYRVSA-N
559 410.71 C27H54O2 CID: 22048 hexacosanoic acid methyl ester VHUJBYYFFWDLNM-UHFFFAOYSA-N
560 134.17 C9H10O CID: 22819 1-indanol YIAPLDFPUUJILH-UHFFFAOYSA-N
561 179.17 C6H13NO5 CID: 24154 (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol MSWZFWKMSRAUBD-GASJEMHNSA-N
562 358.55 C21H42O4 CID: 24699 octadecanoic acid 2,3-dihydroxypropyl ester VBICKXHEKHSIBG-UHFFFAOYSA-N
563 180.15 C6H12O6 CID: 24749 2,3,4,5,6-pentahydroxyhexanal GZCGUPFRVQAUEE-UHFFFAOYSA-N
564 580.53 C27H32O14 CID: 25075 7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone DFPMSGMNTNDNHN-JJLSSNRUSA-N
565 226.18 C7H14O8 CID: 25588 (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid KWMLJOLKUYYJFJ-VFUOTHLCSA-N
566 154.24 C10H18O CID: 26447 (2S,5R)-2-isopropyl-5-methylcyclohexanone NFLGAXVYCFJBMK-BDAKNGLRSA-N
567 478.91 C34H70 CID: 26519 tetratriacontane GWVDBZWVFGFBCN-UHFFFAOYSA-N
568 133.14 C8H7NO CID: 26548 2-(4-hydroxyphenyl)acetonitrile AYKYOOPFBCOXSL-UHFFFAOYSA-N
569 312.53 C20H40O2 CID: 26840 3,7,11,15-tetramethylhexadecanoic acid RLCKHJSFHOZMDR-UHFFFAOYSA-N
570 281.26 C11H15N5O4 CID: 27476 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)tetrahydrofuran-3,4-diol GFYLSDSUCHVORB-IOSLPCCCSA-N
571 111.09 C5H5NO2 CID: 28115 3-hydroxy-1H-pyridin-2-one GGOZGYRTNQBSSA-UHFFFAOYSA-N
572 136.23 C10H16 CID: 31253 7-methyl-3-methyleneocta-1,6-diene UAHWPYUMFXYFJY-UHFFFAOYSA-N
573 242.39 C15H30O2 CID: 31284 tetradecanoic acid methyl ester ZAZKJZBWRNNLDS-UHFFFAOYSA-N
574 220.35 C15H24O CID: 31404 2,6-ditert-butyl-4-methylphenol NLZUEZXRPGMBCV-UHFFFAOYSA-N
575 138.05 C3H7O4P CID: 31669 [(3S)-3-methyl-2-oxiranyl]phosphonic acid YMDXZJFXQJVXBF-SCQFTWEKSA-N
576 292.45 C19H32O2 CID: 32801 (8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol CBMYJHIOYJEBSB-CAHXEBCQSA-N
577 147.12 C5H9NO4 CID: 33032 (2S)-2-aminopentanedioic acid WHUUTDBJXJRKMK-VKHMYHEASA-N
578 210.13 C6H10O8 CID: 33037 (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid DSLZVSRJTYRBFB-LLEIAEIESA-N
579 221.20 C8H15NO6 CID: 35717 N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide OVRNDRQMDRJTHS-KEWYIRBNSA-N
580 167.16 C8H9NO3 CID: 36143 (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid LJCWONGJFPCTTL-ZETCQYMHSA-N
581 154.24 C10H18O CID: 37894 2-isopropenyl-2-methylcyclohexanol WRXDJPNAQJMNGJ-UHFFFAOYSA-N
582 347.22 C10H14N5O7P CID: 41211 [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate LNQVTSROQXJCDD-KQYNXXCUSA-N
583 438.76 C29H58O2 CID: 41518 octacosanoic acid methyl ester ZKHOYAKAFALNQD-UHFFFAOYSA-N
584 166.17 C6H14O5 CID: 42953 3-(2,3-dihydroxypropoxy)propane-1,2-diol GPLRAVKSCUXZTP-UHFFFAOYSA-N
585 267.24 C10H13N5O4 CID: 60961 (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol OIRDTQYFTABQOQ-KQYNXXCUSA-N
586 144.21 C7H16N2O CID: 61055 3-morpholino-1-propanamine UIKUBYKUYUSRSM-UHFFFAOYSA-N
587 154.16 C8H10O3 CID: 62348 4-(hydroxymethyl)-2-methoxyphenol ZENOXNGFMSCLLL-UHFFFAOYSA-N
588 224.29 C13H20O3 CID: 62388 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid methyl ester GEWDNTWNSAZUDX-UHFFFAOYSA-N
589 120.14 C8H8O CID: 62453 4-vinylphenol FUGYGGDSWSUORM-UHFFFAOYSA-N
590 146.14 C8H6N2O CID: 63112 1H-quinazolin-4-one QMNUDYFKZYBWQX-UHFFFAOYSA-N
591 103.11 C4H9NO2 CID: 64956 3-amino-2-methylpropanoic acid QCHPKSFMDHPSNR-UHFFFAOYSA-N
592 164.15 C6H12O5 CID: 64960 (2R,3S,4R,5S)-2-(hydroxymethyl)tetrahydropyran-3,4,5-triol MPCAJMNYNOGXPB-SLPGGIOYSA-N
593 169.18 C7H11N3O2 CID: 64969 (2S)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid JDHILDINMRGULE-LURJTMIESA-N
594 458.37 C22H18O11 CID: 65064 3,4,5-trihydroxybenzoic acid [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester WMBWREPUVVBILR-WIYYLYMNSA-N
595 175.13 C6H9NO5 CID: 65065 (2S)-2-acetamidobutanedioic acid OTCCIMWXFLJLIA-BYPYZUCNSA-N
596 256.25 C12H16O6 CID: 65080 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(phenoxy)tetrahydropyran-3,4,5-triol NEZJDVYDSZTRFS-RMPHRYRLSA-N
597 467.15 C9H16N3O13P3 CID: 65091 [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate RGWHQCVHVJXOKC-SHYZEUOFSA-N
598 133.14 C5H11NO3 CID: 65097 2-amino-3-hydroxypentanoic acid LGVJIYCMHMKTPB-UHFFFAOYSA-N
599 117.14 C5H11NO2 CID: 65098 (2S)-2-aminopentanoic acid SNDPXSYFESPGGJ-BYPYZUCNSA-N
600 178.21 C5H10N2O3S CID: 65270 2-[(2-amino-3-mercapto-1-oxopropyl)amino]acetic acid ZUKPVRWZDMRIEO-UHFFFAOYSA-N
601 260.13 C6H13O9P CID: 65533 [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate HXXFSFRBOHSIMQ-VFUOTHLCSA-N
602 302.40 C19H26O3 CID: 65542 (7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione LFWLQMQUJQUZBD-TYHLISGHSA-N
603 150.12 C5H10O5 CID: 65550 (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal PYMYPHUHKUWMLA-UOWFLXDJSA-N
604 350.49 C21H34O4 CID: 65553 1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone RHQQHZQUAMFINJ-DTDWNVJFSA-N
605 362.45 C21H30O5 CID: 65554 (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione YCLWEYIBFOLMEM-FNLRALKVSA-N
606 159.22 C8H17NO2 CID: 66085 8-aminooctanoic acid UQXNEWQGGVUVQA-UHFFFAOYSA-N
607 150.12 C5H10O5 CID: 66308 (2S,3R,4R)-2,3,4,5-tetrahydroxypentanal PYMYPHUHKUWMLA-WDCZJNDASA-N
608 310.35 C20H14N4 CID: 66868 21,22-dihydroporphyrin JZRYQZJSTWVBBD-UHFFFAOYSA-N
609 151.16 C8H9NO2 CID: 67069 2-(methylamino)benzoic acid WVMBPWMAQDVZCM-UHFFFAOYSA-N
610 240.30 C6H12N2O4S2 CID: 67678 (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid LEVWYRKDKASIDU-IMJSIDKUSA-N
611 131.13 C4H9N3O2 CID: 67701 3-guanidinopropanoic acid KMXXSJLYVJEBHI-UHFFFAOYSA-N
612 193.19 C10H11NO3 CID: 68144 2-[(1-oxo-2-phenylethyl)amino]acetic acid UTYVDVLMYQPLQB-UHFFFAOYSA-N
613 220.35 C15H24O CID: 68150 3,7,11-trimethyldodeca-2,6,10-trienal YHRUHBBTQZKMEX-UHFFFAOYSA-N
614 90.077 C3H6O3 CID: 68152 3-hydroxypropanoic acid ALRHLSYJTWAHJZ-UHFFFAOYSA-N
615 252.22 C10H12N4O4 CID: 68368 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(9-purinyl)tetrahydrofuran-3,4-diol MRWXACSTFXYYMV-FDDDBJFASA-N
616 136.14 C8H8O2 CID: 68490 2-hydroxy-1-phenylethanone ZWVHTXAYIKBMEE-UHFFFAOYSA-N
617 180.16 C8H8N2O3 CID: 68499 2-[[oxo(3-pyridyl)methyl]amino]acetic acid ZBSGKPYXQINNGF-UHFFFAOYSA-N
618 272.38 C18H24O2 CID: 68570 (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol VOXZDWNPVJITMN-SFFUCWETSA-N
619 185.07 C3H8NO6P CID: 68841 (2S)-2-amino-3-phosphonooxypropanoic acid BZQFBWGGLXLEPQ-REOHCLBHSA-N
620 139.10 C6H5NO3 CID: 69114 2-oxo-1H-pyridine-3-carboxylic acid UEYQJQVBUVAELZ-UHFFFAOYSA-N
621 145.15 C9H7NO CID: 69141 1H-quinolin-4-one PMZDQRJGMBOQBF-UHFFFAOYSA-N
622 114.10 C4H6N2O2 CID: 69217 1-methylimidazolidine-2,4-dione RHYBFKMFHLPQPH-UHFFFAOYSA-N
623 89.093 C3H7NO2 CID: 69221 2-aminoacetic acid methyl ester KQSSATDQUYCRGS-UHFFFAOYSA-N
624 268.35 C8H16N2O4S2 CID: 69382 (2S)-2-amino-4-(3-amino-4-hydroxy-4-oxobutyl)disulfanylbutanoic acid ZTVZLYBCZNMWCF-ZBHICJROSA-N
625 260.13 C6H13O9P CID: 69507 [(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate GSXOAOHZAIYLCY-HSUXUTPPSA-N
626 153.18 C7H11N3O CID: 69602 N-[2-(1H-imidazol-5-yl)ethyl]acetamide XJWPISBUKWZALE-UHFFFAOYSA-N
627 161.15 C9H7NO2 CID: 69867 1H-indole-3-carboxylic acid KMAKOBLIOCQGJP-UHFFFAOYSA-N
628 195.21 C10H13NO3 CID: 70652 (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester MWZPENIJLUWBSY-VIFPVBQESA-N
629 173.20 C8H15NO3 CID: 70912 (2S)-2-acetamido-4-methylpentanoic acid WXNXCEHXYPACJF-ZETCQYMHSA-N
630 189.16 C7H11NO5 CID: 70914 (2S)-2-acetamidopentanedioic acid RFMMMVDNIPUKGG-YFKPBYRVSA-N
631 138.12 C7H6O3 CID: 70949 2,5-dihydroxybenzaldehyde CLFRCXCBWIQVRN-UHFFFAOYSA-N
632 290.26 C15H14O6 CID: 72276 (2R,3R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol PFTAWBLQPZVEMU-UKRRQHHQSA-N
633 306.26 C15H14O7 CID: 72277 (2R,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol XMOCLSLCDHWDHP-IUODEOHRSA-N
634 169.15 C3H7NO5S CID: 72886 (2R)-2-amino-3-sulfopropanoic acid XVOYSCVBGLVSOL-REOHCLBHSA-N
635 139.10 C6H5NO3 CID: 72924 6-oxo-1H-pyridine-3-carboxylic acid BLHCMGRVFXRYRN-UHFFFAOYSA-N
636 147.12 C5H9NO4 CID: 73064 3-aminopentanedioic acid BBJIPMIXTXKYLZ-UHFFFAOYSA-N
637 290.26 C15H14O6 CID: 73160 (2S,3R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol PFTAWBLQPZVEMU-HIFRSBDPSA-N
638 195.17 C6H13NO6 CID: 73563 (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid UFYKDFXCZBTLOO-TXICZTDVSA-N
639 188.26 C10H20O3 CID: 74300 10-hydroxydecanoic acid YJCJVMMDTBEITC-UHFFFAOYSA-N
640 182.21 C13H10O CID: 74318 9H-fluoren-9-ol AFMVESZOYKHDBJ-UHFFFAOYSA-N
641 116.11 C5H8O3 CID: 74563 2-oxopentanoic acid KDVFRMMRZOCFLS-UHFFFAOYSA-N
642 207.22 C11H13NO3 CID: 74839 (2S)-2-acetamido-3-phenylpropanoic acid CBQJSKKFNMDLON-JTQLQIEISA-N
643 265.30 C14H19NO4 CID: 74840 (2S)-4-methyl-2-[[oxo(phenylmethoxy)methyl]amino]pentanoic acid USPFMEKVPDBMCG-LBPRGKRZSA-N
644 382.66 C25H50O2 CID: 75546 tetracosanoic acid methyl ester XUDJZDNUVZHSKZ-UHFFFAOYSA-N
645 144.12 C6H8O4 CID: 75748 2-allylpropanedioic acid ZDZVKPXKLLLOOA-UHFFFAOYSA-N
646 131.12 C5H9NO3 CID: 76406 3-acetamidopropanoic acid LJLLAWRMBZNPMO-UHFFFAOYSA-N
647 195.21 C10H13NO3 CID: 76957 2-amino-3-(4-hydroxyphenyl)propanoic acid methyl ester MWZPENIJLUWBSY-UHFFFAOYSA-N
648 230.21 C13H10O4 CID: 77093 phenyl-(2,4,6-trihydroxyphenyl)methanone CPEXFJVZFNYXGU-UHFFFAOYSA-N
649 174.15 C9H6N2O2 CID: 77341 4-nitroquinoline ZPVSFHWMXABGPU-UHFFFAOYSA-N
650 105.20 C4H11NS CID: 77743 3-(methylthio)-1-propanamine KKYSBGWCYXYOHA-UHFFFAOYSA-N
651 230.10 C5H11O8P CID: 77982 [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate PPQRONHOSHZGFQ-LMVFSUKVSA-N
652 148.15 C9H8O2 CID: 78092 3-isochromanone ILHLUZUMRJQEAH-UHFFFAOYSA-N
653 103.16 C5H13NO CID: 79019 2-amino-3-methyl-1-butanol NWYYWIJOWOLJNR-UHFFFAOYSA-N
654 162.14 C6H10O5 CID: 79029 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol TWNIBLMWSKIRAT-UHFFFAOYSA-N
655 172.18 C7H12N2O3 CID: 79101 1-(2-amino-1-oxoethyl)-2-pyrrolidinecarboxylic acid KZNQNBZMBZJQJO-UHFFFAOYSA-N
656 342.29 C12H22O11 CID: 84571 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol GUBGYTABKSRVRQ-XLOQQCSPSA-N
657 340.11 C6H14O12P2 CID: 84951 [(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate XPYBSIWDXQFNMH-UYFOZJQFSA-N
658 184.14 C8H8O5 CID: 85782 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid RGHMISIYKIHAJW-UHFFFAOYSA-N
659 386.65 C27H46O CID: 85881 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one PESKGJQREUXSRR-UHFFFAOYSA-N
660 390.38 C17H26O10 CID: 87691 (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester AMBQHHVBBHTQBF-UOUCRYGSSA-N
661 177.15 C9H7NO3 CID: 88958 5-hydroxy-1H-indole-2-carboxylic acid BIMHWDJKNOMNLD-UHFFFAOYSA-N
662 156.09 C5H4N2O4 CID: 90301 2,4-dioxo-1H-pyrimidine-5-carboxylic acid ZXYAAVBXHKCJJB-UHFFFAOYSA-N
663 302.45 C20H30O2 CID: 90895 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid RSWGJHLUYNHPMX-UHFFFAOYSA-N
664 344.31 C12H24O11 CID: 91476 (2S,3R,4R,5R)-4-[[(2S,3R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol VQHSOMBJVWLPSR-JGMLYOSISA-N
665 384.63 C27H44O CID: 91477 (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one NYOXRYYXRWJDKP-GYKMGIIDSA-N
666 276.13 C6H13O10P CID: 91493 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid BIRSGZKFKXLSJQ-SQOUGZDYSA-N
667 170.16 C8H10O4 CID: 91528 4-(1,2-dihydroxyethyl)benzene-1,2-diol MTVWFVDWRVYDOR-UHFFFAOYSA-N
668 180.15 C6H12O6 CID: 92092 (3S,4S,5R)-1,3,4,5,6-pentahydroxy-2-hexanone BJHIKXHVCXFQLS-PQLUHFTBSA-N
669 386.65 C27H46O CID: 92128 (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one PESKGJQREUXSRR-UXIWKSIVSA-N
670 384.63 C27H44O CID: 92746 (3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CGSJXLIKVBJVRY-XTGBIJOFSA-N
671 434.39 C21H22O10 CID: 92794 (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone DLIKSSGEMUFQOK-SFTVRKLSSA-N
672 342.29 C12H22O11 CID: 92797 (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal PZDOWFGHCNHPQD-VNNZMYODSA-N
673 342.29 C12H22O11 CID: 92807 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal AYRXSINWFIIFAE-SCLLYDPQSA-N
674 316.47 C21H32O2 CID: 92810 (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one XMRPGKVKISIQBV-BJMCWZGWSA-N
675 504.43 C18H32O16 CID: 92817 (2R,3R,4S,5S,6R)-2-[[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol QWIZNVHXZXRPDR-WSCXOGSTSA-N
676 134.08 C4H6O5 CID: 92824 (2R)-2-hydroxybutanedioic acid BJEPYKJPYRNKOW-UWTATZPHSA-N
677 238.23 C11H14N2O4 CID: 92829 (2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid XBGGUPMXALFZOT-VIFPVBQESA-N
678 188.22 C8H16N2O3 CID: 92832 (2S)-6-acetamido-2-aminohexanoic acid DTERQYGMUDWYAZ-ZETCQYMHSA-N
679 272.42 C16H32O3 CID: 92836 2-hydroxyhexadecanoic acid JGHSBPIZNUXPLA-UHFFFAOYSA-N
680 116.15 C6H12O2 CID: 92886 (1R,2R)-cyclohexane-1,2-diol PFURGBBHAOXLIO-PHDIDXHHSA-N
681 116.15 C6H12O2 CID: 92903 (1R,2S)-cyclohexane-1,2-diol PFURGBBHAOXLIO-OLQVQODUSA-N
682 205.20 C11H11NO3 CID: 92904 2-hydroxy-3-(1H-indol-3-yl)propanoic acid XGILAAMKEQUXLS-UHFFFAOYSA-N
683 188.22 C8H16N2O3 CID: 92907 (2S)-2-acetamido-6-aminohexanoic acid VEYYWZRYIYDQJM-ZETCQYMHSA-N
684 164.15 C6H12O5 CID: 93579 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal PNNNRSAQSRJVSB-JGWLITMVSA-N
685 302.40 C19H26O3 CID: 94141 (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione WSCUHXPGYUMQEX-KCZNZURUSA-N
686 152.14 C5H12O5 CID: 94154 (2R,4R)-pentane-1,2,3,4,5-pentol HEBKCHPVOIAQTA-QWWZWVQMSA-N
687 120.10 C4H8O4 CID: 94176 (2R,3R)-2,3,4-trihydroxybutanal YTBSYETUWUMLBZ-IUYQGCFVSA-N
688 194.18 C7H14O6 CID: 94214 (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol HOVAGTYPODGVJG-VOQCIKJUSA-N
689 89.093 C3H7NO2 CID: 94220 2-hydroxypropanamide SXQFCVDSOLSHOQ-UHFFFAOYSA-N
690 300.43 C20H28O2 CID: 94391 (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid NFWKVWVWBFBAOV-MISYRCLQSA-N
691 194.13 C6H10O7 CID: 94715 (2S,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid AEMOLEFTQBMNLQ-AQKNRBDQSA-N
692 180.15 C6H12O6 CID: 94780 (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal GZCGUPFRVQAUEE-ARQDHWQXSA-N
693 172.18 C7H12N2O3 CID: 95514 5-(4-hydroxybutyl)imidazolidine-2,4-dione SQKDMDCPJJTKKB-UHFFFAOYSA-N
694 161.15 C9H7NO2 CID: 97250 8-hydroxy-1H-quinolin-2-one ZXZKYYHTWHJHFT-UHFFFAOYSA-N
695 202.20 C9H14O5 CID: 97750 2-methyl-3-oxobutanedioic acid diethyl ester OQOCQBJWOCRPQY-UHFFFAOYSA-N
696 175.14 C5H9N3O4 CID: 97856 2-guanidinobutanedioic acid VVHOUVWJCQOYGG-UHFFFAOYSA-N
697 118.13 C5H10O3 CID: 98009 2-hydroxypentanoic acid JRHWHSJDIILJAT-UHFFFAOYSA-N
698 119.11 C4H9NO3 CID: 99289 (2S,3S)-2-amino-3-hydroxybutanoic acid AYFVYJQAPQTCCC-HRFVKAFMSA-N
699 180.15 C6H12O6 CID: 99459 (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal GZCGUPFRVQAUEE-KAZBKCHUSA-N
700 119.07 C3H5NO4 CID: 100714 2-aminopropanedioic acid JINBYESILADKFW-UHFFFAOYSA-N
701 400.63 C27H44O2 CID: 101465 (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-3-heptanone ZJIBAMHOAQWYSE-CNXJXGGASA-N
702 120.10 C4H8O4 CID: 101562 (2S)-tetrahydrofuran-2,3,4-triol FMAORJIQYMIRHF-LKHOQCSESA-N
703 226.18 C7H14O8 CID: 101713 2,3,4,5,6,7-hexahydroxyheptanoic acid KWMLJOLKUYYJFJ-UHFFFAOYSA-N
704 180.15 C6H12O6 CID: 102288 (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal GZCGUPFRVQAUEE-BGPJRJDNSA-N
705 194.13 C6H10O7 CID: 102424 (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid VBUYCZFBVCCYFD-NUNKFHFFSA-N
706 340.11 C6H14O12P2 CID: 105021 [(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phosphonooxymethyl)-2-tetrahydrofuranyl] dihydrogen phosphate YXWOAJXNVLXPMU-ZXXMMSQZSA-N
707 111.09 C5H5NO2 CID: 105085 3-hydroxy-1H-pyridin-4-one ZCUUVWCJGRQCMZ-UHFFFAOYSA-N
708 144.12 C6H8O4 CID: 107550 3-hexenedioic acid YHGNXQAFNHCBTK-UHFFFAOYSA-N
709 90.077 C3H6O3 CID: 107689 (2S)-2-hydroxypropanoic acid JVTAAEKCZFNVCJ-REOHCLBHSA-N
710 402.65 C27H46O2 CID: 107722 (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol OYXZMSRRJOYLLO-RVOWOUOISA-N
711 109.14 C2H7NO2S CID: 107812 2-aminoethanesulfinic acid VVIUBCNYACGLLV-UHFFFAOYSA-N
712 307.42 C18H29NO3 CID: 107982 N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide XJQPQKLURWNAAH-UHFFFAOYSA-N
713 183.16 C8H9NO4 CID: 108001 2-amino-2-(3,5-dihydroxyphenyl)acetic acid HOOWCUZPEFNHDT-UHFFFAOYSA-N
714 246.26 C9H18N4O4 CID: 108172 (2S)-5-guanidino-2-[[(1R)-2-hydroxy-1-methyl-2-oxoethyl]amino]pentanoic acid IMXSCCDUAFEIOE-RITPCOANSA-N
715 164.15 C6H12O5 CID: 108223 (3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal VRYALKFFQXWPIH-PBXRRBTRSA-N
716 215.63 C9H10ClNO3 CID: 110992 (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid ACWBBAGYTKWBCD-ZETCQYMHSA-N
717 148.11 C5H8O5 CID: 111064 (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranone CUOKHACJLGPRHD-BXXZVTAOSA-N
718 155.19 C8H13NO2 CID: 115288 2-amino-2-norbornanecarboxylic acid MPUVBVXDFRDIPT-UHFFFAOYSA-N
719 506.45 C18H34O16 CID: 118008 (2S,3R,5R)-4-[[(2R,3R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol XJCCHWKNFMUJFE-CLYXNOERSA-N
720 162.14 C6H10O5 CID: 119054 (1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol ZHMWOVGZCINIHW-FTYOSCRSSA-N
721 190.15 C6H10N2O5 CID: 121396 (2S)-2-ureidopentanedioic acid LCQLHJZYVOQKHU-VKHMYHEASA-N
722 402.65 C27H46O2 CID: 121935 (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol MCKLJFJEQRYRQT-APGJSSKUSA-N
723 317.50 C18H39NO3 CID: 122121 (2S,3S,4R)-2-aminooctadecane-1,3,4-triol AERBNCYCJBRYDG-KSZLIROESA-N
724 464.50 C24H32O9 CID: 122281 (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid FQYGGFDZJFIDPU-JRSYHJKYSA-N
725 422.27 C12H23O14P CID: 122336 [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]methyl dihydrogen phosphate LABSPYBHMPDTEL-LIZSDCNHSA-N
726 200.08 C4H9O7P CID: 122357 [(2R,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate NGHMDNPXVRFFGS-IUYQGCFVSA-N
727 330.50 C19H38O4 CID: 123409 hexadecanoic acid [2-hydroxy-1-(hydroxymethyl)ethyl] ester BBNYCLAREVXOSG-UHFFFAOYSA-N
728 337.37 C15H23N5O4 CID: 123804 (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-guanidinopentanoic acid JXNRXNCCROJZFB-RYUDHWBXSA-N
729 202.25 C8H18N4O2 CID: 123831 (2S)-2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoic acid YDGMGEXADBMOMJ-LURJTMIESA-N
730 307.32 C10H17N3O6S CID: 124886 (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(mercaptomethyl)-2-oxoethyl]amino]-5-oxopentanoic acid RWSXRVCMGQZWBV-WDSKDSINSA-N
731 196.15 C6H12O7 CID: 128869 (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid RGHNJXZEOKUKBD-MGCNEYSASA-N
732 205.25 C9H19NO4 CID: 131204 (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SNPLKNRPJHDVJA-ZETCQYMHSA-N
733 212.19 C10H12O5 CID: 134310 2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid ZKDXHLFLKKWCBY-UHFFFAOYSA-N
734 115.13 C5H9NO2 CID: 145742 (2S)-2-pyrrolidinecarboxylic acid ONIBWKKTOPOVIA-BYPYZUCNSA-N
735 147.17 C9H9NO CID: 150923 3-methyl-2-indolinone BBZCPUCZKLTAJQ-UHFFFAOYSA-N
736 120.10 C4H8O4 CID: 150929 3,4-dihydroxybutanoic acid DZAIOXUZHHTJKN-UHFFFAOYSA-N
737 144.16 C7H12O3 CID: 151138 4-hydroxycyclohexanecarboxylic acid HCFRWBBJISAZNK-UHFFFAOYSA-N
738 136.10 C4H8O5 CID: 151152 (2S,3R)-2,3,4-trihydroxybutanoic acid JPIJQSOTBSSVTP-GBXIJSLDSA-N
739 155.15 C6H9N3O2 CID: 151491 (2S)-2-amino-3-(1-pyrazolyl)propanoic acid PIGOPELHGLPKLL-YFKPBYRVSA-N
740 194.13 C6H10O7 CID: 152867 2,3,4,5-tetrahydroxy-6-oxohexanoic acid IAJILQKETJEXLJ-UHFFFAOYSA-N
741 289.36 C17H23NO3 CID: 154417 (2S)-3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester RKUNBYITZUJHSG-VFSICIBPSA-N
742 270.23 C11H14N2O6 CID: 156807 (2R,3R,4R)-5-(4-nitrophenyl)iminopentane-1,2,3,4-tetrol KGZKBJWBUXFFPS-GMTAPVOTSA-N
743 165.21 C5H11NO3S CID: 158980 (2S)-2-amino-4-methylsulfinylbutanoic acid QEFRNWWLZKMPFJ-YGVKFDHGSA-N
744 189.27 C9H21N2O2 CID: 159660 (5-amino-6-hydroxy-6-oxohexyl)-trimethylammonium MXNRLFUSFKVQSK-UHFFFAOYSA-O
745 130.14 C6H10O3 CID: 159664 2-oxohexanoic acid XNIHZNNZJHYHLC-UHFFFAOYSA-N
746 194.13 C6H10O7 CID: 159793 (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid VBUYCZFBVCCYFD-FLRLBIABSA-N
747 196.20 C9H12N2O3 CID: 160450 (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid POGSZHUEECCEAP-ZETCQYMHSA-N
748 344.31 C12H24O11 CID: 160514 (2S,3R,4R,5R)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol VQHSOMBJVWLPSR-WELRSGGNSA-N
749 420.66 C27H48O3 CID: 160520 (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol RIVQQZVHIVNQFH-XJZYBRFWSA-N
750 208.21 C10H12N2O3 CID: 161166 (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid YGPSJZOEDVAXAB-QMMMGPOBSA-N
751 342.29 C12H22O11 CID: 165577 (3S,4S,5R)-1,3,4,6-tetrahydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hexanone DXALOGXSFLZLLN-WTZPKTTFSA-N
752 149.14 C8H7NO2 CID: 166768 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile HOOOPXDSCKBLFG-UHFFFAOYSA-N
753 122.11 C4H10O4 CID: 169019 (2R,3R)-butane-1,2,3,4-tetrol UNXHWFMMPAWVPI-QWWZWVQMSA-N
754 264.27 C13H16N2O4 CID: 171161 N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide JYWNYMJKURVPFH-UHFFFAOYSA-N
755 244.31 C10H16N2O3S CID: 171548 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid YBJHBAHKTGYVGT-ZKWXMUAHSA-N
756 169.07 C3H8NO5P CID: 177120 (2R)-2-amino-3-phosphonopropanoic acid LBTABPSJONFLPO-REOHCLBHSA-N
757 267.24 C10H13N5O4 CID: 187790 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3H-purin-6-one YKBGVTZYEHREMT-KVQBGUIXSA-N
758 504.43 C18H32O16 CID: 192826 (2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol FYGDTMLNYKFZSV-PXXRMHSHSA-N
759 179.19 C5H9NO4S CID: 193653 (2R)-2-amino-3-(carboxymethylthio)propanoic acid GBFLZEXEOZUWRN-VKHMYHEASA-N
760 309.31 C14H19N3O5 CID: 194988 (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid UIQGJYUEQDOODF-KWQFWETISA-N
761 458.37 C22H18O11 CID: 199472 3,4,5-trihydroxybenzoic acid [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromanyl] ester WMBWREPUVVBILR-NQIIRXRSSA-N
762 210.18 C7H14O7 CID: 219662 2,3,4,5,6,7-hexahydroxyheptanal YPZMPEPLWKRVLD-UHFFFAOYSA-N
763 164.15 C6H12O5 CID: 220001 2,3,4,5-tetrahydroxyhexanal PNNNRSAQSRJVSB-UHFFFAOYSA-N
764 246.30 C15H18O3 CID: 221071 (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione XJHDMGJURBVLLE-BOCCBSBMSA-N
765 408.57 C24H40O5 CID: 221493 (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid BHQCQFFYRZLCQQ-OELDTZBJSA-N
766 134.08 C4H6O5 CID: 222656 (2S)-2-hydroxybutanedioic acid BJEPYKJPYRNKOW-REOHCLBHSA-N
767 360.44 C21H28O5 CID: 222786 (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione MFYSYFVPBJMHGN-ZPOLXVRWSA-N
768 133.14 C5H11NO3 CID: 222906 2-amino-3-methoxybutanoic acid FYCWLJLGIAUCCL-UHFFFAOYSA-N
769 300.39 C19H24O3 CID: 223997 (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione RZRPTBIGEANTGU-IRIMSJTPSA-N
770 164.15 C6H12O5 CID: 225612 3,4,5,6-tetrahydroxyhexanal VRYALKFFQXWPIH-UHFFFAOYSA-N
771 318.49 C21H34O2 CID: 228491 1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone AURFZBICLPNKBZ-GRWISUQFSA-N
772 610.56 C28H34O15 CID: 232990 7-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl)oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone ARGKVCXINMKCAZ-UHFFFAOYSA-N
773 126.11 C6H6O3 CID: 237332 5-(hydroxymethyl)-2-furancarboxaldehyde NOEGNKMFWQHSLB-UHFFFAOYSA-N
774 292.45 C19H32O2 CID: 242332 (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol CBMYJHIOYJEBSB-YSZCXEEOSA-N
775 426.71 C30H50O CID: 246983 (3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol CAHGCLMLTWQZNJ-BQNIITSRSA-N
776 302.40 C19H26O3 CID: 252379 (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione XGUHPTGEXRHMQQ-BGJMDTOESA-N
777 167.16 C8H9NO3 CID: 255720 2-amino-3-methoxybenzoic acid SXOPCLUOUFQBJV-UHFFFAOYSA-N
778 148.15 C6H12O4 CID: 258531 3,4,5-trihydroxyhexanal JWFRNGYBHLBCMB-UHFFFAOYSA-N
779 161.15 C6H11NO4 CID: 268779 2-(methylamino)pentanedioic acid XLBVNMSMFQMKEY-UHFFFAOYSA-N
780 197.19 C8H11N3O3 CID: 273260 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid KBOJOGQFRVVWBH-UHFFFAOYSA-N
781 103.11 C4H9NO2 CID: 316542 2-(ethylamino)acetic acid YPIGGYHFMKJNKV-UHFFFAOYSA-N
782 156.18 C10H8N2 CID: 351795 2-(1H-indol-3-yl)acetonitrile DMCPFOBLJMLSNX-UHFFFAOYSA-N
783 152.23 C10H16O CID: 369312 [(4S)-4-isopropenyl-1-cyclohexenyl]methanol NDTYTMIUWGWIMO-SNVBAGLBSA-N
784 172.07 C3H9O6P CID: 439162 [(2R)-2,3-dihydroxypropyl] dihydrogen phosphate AWUCVROLDVIAJX-GSVOUGTGSA-N
785 230.10 C5H11O8P CID: 439167 [(2R,3S,4R)-3,4,5-trihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate KTVPXOYAKDPRHY-SOOFDHNKSA-N
786 297.33 C11H15N5O3S CID: 439176 (2R,3R,4S,5S)-2-(6-amino-9-purinyl)-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol WUUGFSXJNOTRMR-IOSLPCCCSA-N
787 186.05 C3H7O7P CID: 439183 (2R)-2-hydroxy-3-phosphonooxypropanoic acid OSJPPGNTCRNQQC-UWTATZPHSA-N
788 230.10 C5H11O8P CID: 439184 [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate FNZLKVNUWIIPSJ-UHNVWZDZSA-N
789 342.29 C12H22O11 CID: 439193 (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol DLRVVLDZNNYCBX-RTPHMHGBSA-N
790 106.07 C3H6O4 CID: 439194 (2R)-2,3-dihydroxypropanoic acid RBNPOMFGQQGHHO-UWTATZPHSA-N
791 154.25 C4H10O2S2 CID: 439196 (2R,3R)-1,4-dimercaptobutane-2,3-diol VHJLVAABSRFDPM-IMJSIDKUSA-N
792 194.13 C6H10O7 CID: 439215 (2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid AEMOLEFTQBMNLQ-YMDCURPLSA-N
793 158.11 C5H6N2O4 CID: 439216 (4S)-2,6-dioxo-4-hexahydropyrimidinecarboxylic acid UFIVEPVSAGBUSI-REOHCLBHSA-N
794 129.15 C6H11NO2 CID: 439227 (2S)-2-piperidinecarboxylic acid HXEACLLIILLPRG-YFKPBYRVSA-N
795 174.19 C7H14N2O3 CID: 439232 (2S)-2-acetamido-5-aminopentanoic acid JRLGPAXAGHMNOL-LURJTMIESA-N
796 150.12 C5H10O5 CID: 439240 (3S,4S,5R)-tetrahydropyran-2,3,4,5-tetrol SRBFZHDQGSBBOR-AGQMPKSLSA-N
797 504.43 C18H32O16 CID: 439242 (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
798 272.25 C15H12O5 CID: 439246 (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone FTVWIRXFELQLPI-ZDUSSCGKSA-N
799 220.22 C11H12N2O3 CID: 439280 (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid LDCYZAJDBXYCGN-VIFPVBQESA-N
800 180.15 C6H12O6 CID: 439312 (3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol LKDRXBCSQODPBY-OEXCPVAWSA-N
801 154.25 C4H10O2S2 CID: 439352 (2R,3S)-1,4-dimercaptobutane-2,3-diol VHJLVAABSRFDPM-ZXZARUISSA-N
802 178.13 C6H10O6 CID: 439373 (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranone SXZYCXMUPBBULW-SKNVOMKLSA-N
803 161.15 C6H11NO4 CID: 439377 (2S)-2-(methylamino)pentanedioic acid XLBVNMSMFQMKEY-BYPYZUCNSA-N
804 219.19 C8H13NO6 CID: 439406 (2S)-2-amino-4-(4-hydroxy-1,4-dioxobutoxy)butanoic acid GNISQJGXJIDKDJ-YFKPBYRVSA-N
805 342.29 C12H22O11 CID: 439451 (1R,2S,4R,5R)-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]cyclohexane-1,2,3,4,5-pentol VCWMRQDBPZKXKG-SPBUTQSFSA-N
806 304.25 C15H12O7 CID: 439533 (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone CXQWRCVTCMQVQX-LSDHHAIUSA-N
807 342.29 C12H22O11 CID: 439559 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methoxy]tetrahydropyran-3,4,5-triol PVXPPJIGRGXGCY-TZLCEDOOSA-N
808 268.35 C8H16N2O4S2 CID: 439579 (2S)-2-amino-4-[(3S)-3-amino-4-hydroxy-4-oxobutyl]disulfanylbutanoic acid ZTVZLYBCZNMWCF-WDSKDSINSA-N
809 504.43 C18H32O16 CID: 439586 (2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol FYGDTMLNYKFZSV-DZOUCCHMSA-N
810 152.14 C8H8O3 CID: 439616 (2S)-2-hydroxy-2-phenylacetic acid IWYDHOAUDWTVEP-ZETCQYMHSA-N
811 666.57 C24H42O21 CID: 439626 (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol LUEWUZLMQUOBSB-YQGOCCRESA-N
812 120.10 C4H8O4 CID: 439665 (2S,3R)-2,3,4-trihydroxybutanal YTBSYETUWUMLBZ-QWWZWVQMSA-N
813 370.26 C12H18O13 CID: 439694 (2S,3R,4S,5R,6S)-6-[[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxy-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid IGSYEZFZPOZFNC-LKIWRGPLSA-N
814 114.10 C4H6N2O2 CID: 439742 (2S)-2-amino-3-cyanopropanoic acid BXRLWGXPSRYJDZ-VKHMYHEASA-N
815 164.15 C6H12O5 CID: 439746 (3R,4S,5S,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol SHZGCJCMOBCMKK-GASJEMHNSA-N
816 422.27 C12H23O14P CID: 439762 [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]methyl dihydrogen phosphate PJTTXANTBQDXME-UGDNZRGBSA-N
817 148.11 C5H8O5 CID: 439766 (2R)-2-hydroxy-2-methylbutanedioic acid XFTRTWQBIOMVPK-RXMQYKEDSA-N
818 246.26 C13H14N2O3 CID: 439917 (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid DZTHIGRZJZPRDV-GFCCVEGCSA-N
819 260.13 C6H13O9P CID: 439958 [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate VFRROHXSMXFLSN-SLPGGIOYSA-N
820 199.16 C7H9N3O4 CID: 440053 (2S)-2-amino-3-(2,4-dioxo-1-pyrimidinyl)propanoic acid FACUYWPMDKTVFU-BYPYZUCNSA-N
821 504.43 C18H32O16 CID: 440080 (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol VAWYEUIPHLMNNF-OESPXIITSA-N
822 288.42 C19H28O2 CID: 440114 (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione RAJWOBJTTGJROA-QJISAEMRSA-N
823 189.27 C9H21N2O2 CID: 440121 [(5S)-5-amino-6-hydroxy-6-oxohexyl]-trimethylammonium MXNRLFUSFKVQSK-QMMMGPOBSA-O
824 288.38 C18H24O3 CID: 440168 (6R,8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol QZZRQURPSRWTLG-UXCAXZQLSA-N
825 183.20 C8H13N3O2 CID: 440274 (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid IMOBSLOLPCWZKQ-ZETCQYMHSA-N
826 162.18 C10H10O2 CID: 440294 (1R,2S)-1,2-dihydronaphthalene-1,2-diol QPUHWUSUBHNZCG-VHSXEESVSA-N
827 198.17 C8H10N2O4 CID: 440473 (2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridyl)propanoic acid WZNJWVWKTVETCG-YFKPBYRVSA-N
828 428.73 C30H52O CID: 440560 (3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol MBZYKEVPFYHDOH-BQNIITSRSA-N
829 131.12 C5H9NO3 CID: 440575 (2S,3S)-3-hydroxy-2-pyrrolidinecarboxylic acid BJBUEDPLEOHJGE-IMJSIDKUSA-N
830 286.36 C18H22O3 CID: 440623 (8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one SWINWPBPEKHUOD-JPVZDGGYSA-N
831 300.39 C19H24O3 CID: 440624 (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one WHEUWNKSCXYKBU-QPWUGHHJSA-N
832 342.29 C12H22O11 CID: 440658 (3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol DLRVVLDZNNYCBX-ABXHMFFYSA-N
833 174.10 C6H6O6 CID: 440667 (5R)-5-[(1S)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-trione SBJKKFFYIZUCET-JLAZNSOCSA-N
834 332.47 C21H32O3 CID: 440705 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone MOIQRAOBRXUWGN-UHFFFAOYSA-N
835 104.10 C4H8O3 CID: 440864 (2S)-2-hydroxybutanoic acid AFENDNXGAFYKQO-VKHMYHEASA-N
836 136.23 C10H16 CID: 440917 (4R)-4-isopropenyl-1-methylcyclohexene XMGQYMWWDOXHJM-JTQLQIEISA-N
837 272.25 C12H16O7 CID: 440936 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol BJRNKVDFDLYUGJ-RMPHRYRLSA-N
838 180.15 C6H12O6 CID: 441032 (3S,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-RSVSWTKNSA-N
839 180.15 C6H12O6 CID: 441035 (3S,4S,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-WHZQZERISA-N
840 162.14 C6H10O5 CID: 441040 (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-2-tetrahydrofuranyl]-2-hydroxyacetaldehyde WZYRMLAWNVOIEX-ARQDHWQXSA-N
841 342.29 C12H22O11 CID: 441422 (2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol DLRVVLDZNNYCBX-LIZSDCNHSA-N
842 449.38 C21H21O11 CID: 441667 (2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol RKWHWFONKJEUEF-GQUPQBGVSA-O
843 580.53 C27H32O14 CID: 442428 (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone DFPMSGMNTNDNHN-ZPHOTFPESA-N
844 610.56 C28H34O15 CID: 442439 (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone ARGKVCXINMKCAZ-UZRWAPQLSA-N
845 154.24 C10H18O CID: 443163 (1R,2R,5R)-5-isopropenyl-2-methylcyclohexanol KRCZYMFUWVJCLI-OPRDCNLKSA-N
846 149.10 C4H7NO5 CID: 443239 (2S,3S)-2-amino-3-hydroxybutanedioic acid YYLQUHNPNCGKJQ-LWMBPPNESA-N
847 183.16 C8H9NO4 CID: 443586 (2S)-2-amino-2-(3,5-dihydroxyphenyl)acetic acid HOOWCUZPEFNHDT-ZETCQYMHSA-N
848 465.38 C21H21O12 CID: 443650 (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol XENHPQQLDPAYIJ-PEVLUNPASA-O
849 479.41 C22H23O12 CID: 443651 (2S,3R,4S,5S,6R)-2-[[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CCQDWIRWKWIUKK-QKYBYQKWSA-O
850 493.43 C23H25O12 CID: 443652 (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol PXUQTDZNOHRWLI-OXUVVOBNSA-O
851 463.41 C22H23O11 CID: 443654 (2S,3R,4S,5S,6R)-2-[[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromenyliumyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol ZZWPMFROUHHAKY-OUUKCGNVSA-O
852 786.55 C27H34N9O15P2 CID: 444188 [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate IMGVNJNCCGXBHD-UYBVJOGSSA-O
853 174.10 C6H6O6 CID: 444212 (E)-1-propene-1,2,3-tricarboxylic acid GTZCVFVGUGFEME-HNQUOIGGSA-N
854 116.07 C4H4O4 CID: 444266 maleic acid VZCYOOQTPOCHFL-UPHRSURJSA-N
855 150.08 C4H6O6 CID: 444305 (2R,3R)-2,3-dihydroxybutanedioic acid FEWJPZIEWOKRBE-JCYAYHJZSA-N
856 148.15 C9H8O2 CID: 444539 (E)-3-phenyl-2-propenoic acid WBYWAXJHAXSJNI-VOTSOKGWSA-N
857 396.64 C28H44O CID: 444679 (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol DNVPQKQSNYMLRS-APGDWVJJSA-N
858 166.17 C9H10O3 CID: 444718 (2S)-2-hydroxy-3-phenylpropanoic acid VOXXWSYKYCBWHO-QMMMGPOBSA-N
859 300.43 C20H28O2 CID: 444795 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid SHGAZHPCJJPHSC-YCNIQYBTSA-N
860 304.46 C20H32O2 CID: 444899 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid YZXBAPSDXZZRGB-DOFZRALJSA-N
861 116.07 C4H4O4 CID: 444972 fumaric acid VZCYOOQTPOCHFL-OWOJBTEDSA-N
862 222.36 C15H26O CID: 445070 (2E,6E)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol CRDAMVZIKSXKFV-YFVJMOTDSA-N
863 228.24 C14H12O3 CID: 445154 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol LUKBXSAWLPMMSZ-OWOJBTEDSA-N
864 254.40 C16H30O2 CID: 445638 (Z)-9-hexadecenoic acid SECPZKHBENQXJG-FPLPWBNLSA-N
865 282.46 C18H34O2 CID: 445639 (Z)-9-octadecenoic acid ZQPPMHVWECSIRJ-KTKRTIGZSA-N
866 194.18 C10H10O4 CID: 445858 (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid KSEBMYQBYZTDHS-HWKANZROSA-N
867 194.13 C6H10O7 CID: 445929 (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid AEMOLEFTQBMNLQ-BKBMJHBISA-N
868 290.44 C19H30O2 CID: 446188 (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol BTTWKVFKBPAFDK-SSCHMFMQSA-N
869 180.15 C6H12O6 CID: 448388 (2R,3R,4R,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-QZABAPFNSA-N
870 219.24 C10H13N5O CID: 449093 (E)-2-methyl-4-(7H-purin-6-ylamino)-2-buten-1-ol UZKQTCBAMSWPJD-FARCUNLSSA-N
871 312.53 C20H40O2 CID: 468706 (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid RLCKHJSFHOZMDR-PWCSWUJKSA-N
872 342.29 C12H22O11 CID: 493593 (2R,3R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal DKXNBNKWCZZMJT-HWCAIPQBSA-N
873 276.47 C11H24O4Si2 CID: 523334 4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)-2-tetrahydrofuranone IKMKBKLESWIEFA-UHFFFAOYSA-N
874 420.66 C27H48O3 CID: 537036 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol YMMFNKXZULYSOQ-UHFFFAOYSA-N
875 238.30 C9H18O5S CID: 552632 2-(hydroxymethyl)-6-(isopropylthio)tetrahydropyran-3,4,5-triol BPHPUYQFMNQIOC-UHFFFAOYSA-N
876 131.12 C5H9NO3 CID: 559314 3-hydroxy-2-pyrrolidinecarboxylic acid BJBUEDPLEOHJGE-UHFFFAOYSA-N
877 282.46 C18H34O2 CID: 637517 (E)-9-octadecenoic acid ZQPPMHVWECSIRJ-MDZDMXLPSA-N
878 162.18 C10H10O2 CID: 637520 (E)-3-phenyl-2-propenoic acid methyl ester CCRCUPLGCSFEDV-BQYQJAHWSA-N
879 164.15 C9H8O3 CID: 637540 (E)-3-(2-hydroxyphenyl)-2-propenoic acid PMOWTIHVNWZYFI-AATRIKPKSA-N
880 164.15 C9H8O3 CID: 637541 (E)-3-(3-hydroxyphenyl)-2-propenoic acid KKSDGJDHHZEWEP-SNAWJCMRSA-N
881 164.15 C9H8O3 CID: 637542 (E)-3-(4-hydroxyphenyl)-2-propenoic acid NGSWKAQJJWESNS-ZZXKWVIFSA-N
882 154.24 C10H18O CID: 637566 (2E)-3,7-dimethyl-1-octa-2,6-dienol GLZPCOQZEFWAFX-JXMROGBWSA-N
883 224.21 C11H12O5 CID: 637775 (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid PCMORTLOPMLEFB-ONEGZZNKSA-N
884 152.23 C10H16O CID: 638011 (2E)-3,7-dimethylocta-2,6-dienal WTEVQBCEXWBHNA-JXMROGBWSA-N
885 192.29 C13H20O CID: 638014 (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one PSQYTAPXSHCGMF-BQYQJAHWSA-N
886 285.33 C17H19NO3 CID: 638024 (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)-1-penta-2,4-dienone MXXWOMGUGJBKIW-YPCIICBESA-N
887 326.25 C14H14O9 CID: 641605 (2S,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoallyloxy]butanedioic acid XIWXUSFCUBAMFH-SCBUBVSKSA-N
888 312.22 C13H12O9 CID: 642609 (2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-3-hydroxybutanedioic acid SWGKAHCIOQPKFW-LOMYTOQZSA-N
889 137.17 C8H11NO CID: 643217 (1S)-2-amino-1-phenylethanol ULSIYEODSMZIPX-MRVPVSSYSA-N
890 130.09 C5H6O4 CID: 643798 (Z)-2-methyl-2-butenedioic acid HNEGQIOMVPPMNR-IHWYPQMZSA-N
891 268.43 C17H32O2 CID: 643801 (Z)-9-hexadecenoic acid methyl ester IZFGRAGOVZCUFB-HJWRWDBZSA-N
892 154.24 C10H18O CID: 643820 (2Z)-3,7-dimethyl-1-octa-2,6-dienol GLZPCOQZEFWAFX-YFHOEESVSA-N
893 785.54 C27H33N9O15P2 CID: 643975 [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate VWWQXMAJTJZDQX-UYBVJOGSSA-N
894 150.12 C5H10O5 CID: 644160 (2R,3S,4R)-2,3,4,5-tetrahydroxypentanal PYMYPHUHKUWMLA-VPENINKCSA-N
895 238.30 C9H18O5S CID: 656894 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(isopropylthio)tetrahydropyran-3,4,5-triol BPHPUYQFMNQIOC-NXRLNHOXSA-N
896 244.24 C14H12O4 CID: 667639 5-[(E)-2-(3,4-dihydroxyphenyl)vinyl]benzene-1,3-diol CDRPUGZCRXZLFL-OWOJBTEDSA-N
897 218.25 C12H14N2O2 CID: 676159 (2S)-2-amino-3-(1-methyl-3-indolyl)propanoic acid ZADWXFSZEAPBJS-JTQLQIEISA-N
898 180.15 C9H8O4 CID: 689043 (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid QAIPRVGONGVQAS-DUXPYHPUSA-N
899 271.31 C16H17NO3 CID: 725701 (2S)-2-amino-3-[4-(phenylmethoxy)phenyl]propanoic acid KAFHLONDOVSENM-HNNXBMFYSA-N
900 138.12 C6H6N2O2 CID: 736715 (E)-3-(1H-imidazol-5-yl)-2-propenoic acid LOIYMIARKYCTBW-OWOJBTEDSA-N
901 196.28 C12H20O2 CID: 1549026 acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester HIGQPQRQIQDZMP-DHZHZOJOSA-N
902 224.21 C11H12O5 CID: 1549091 (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid PCMORTLOPMLEFB-ARJAWSKDSA-N
903 180.20 C10H12O3 CID: 1549095 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol JMFRWRFFLBVWSI-NSCUHMNNSA-N
904 222.36 C15H26O CID: 1549107 (2Z,6Z)-3,7,11-trimethyl-1-dodeca-2,6,10-trienol CRDAMVZIKSXKFV-FBXUGWQNSA-N
905 180.15 C9H8O4 CID: 1549111 (Z)-3-(3,4-dihydroxyphenyl)-2-propenoic acid QAIPRVGONGVQAS-RQOWECAXSA-N
906 80.097 C2H5NO2 CID: 2723970 2,2-dideuterio-2-(dideuterioamino)acetic acid deuterio ester DHMQDGOQFOQNFH-LGLHGEJLSA-N
907 180.15 C6H12O6 CID: 2724552 (2S,3S,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol LKDRXBCSQODPBY-VANKVMQKSA-N
908 128.21 C8H16O CID: 2724898 (3S)-1-octen-3-ol VSMOENVRRABVKN-MRVPVSSYSA-N
909 105.13 C4H11NO2 CID: 2734122 3-(methylamino)propane-1,2-diol WOMTYMDHLQTCHY-UHFFFAOYSA-N
910 344.31 C12H24O11 CID: 3034828 (3R,4R,5R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,4,5-pentol SERLAGPUMNYUCK-BLEZHGCXSA-N
911 103.09 C4H7O3 CID: 3037032 4-hydroxybutanoate SJZRECIVHVDYJC-UHFFFAOYSA-M
912 210.13 C6H10O8 CID: 3037582 (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid DSLZVSRJTYRBFB-DUHBMQHGSA-N
913 239.22 C8H17NO7 CID: 3084028 N-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide hydrate VVQPUTSNIMAJPT-UHFFFAOYSA-N
914 199.09 C4H10NO6P CID: 3246323 (2S,3R)-2-amino-3-phosphonooxybutanoic acid USRGIUJOYOXOQJ-GBXIJSLDSA-N
915 155.10 C6H5NO4 CID: 3505109 4-nitrobenzene-1,2-diol XJNPNXSISMKQEX-UHFFFAOYSA-N
916 506.45 C18H34O16 CID: 3625615 4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol XJCCHWKNFMUJFE-UHFFFAOYSA-N
917 190.15 C6H10N2O5 CID: 3679006 2-ureidopentanedioic acid LCQLHJZYVOQKHU-UHFFFAOYSA-N
918 262.21 C9H14N2O7 CID: 4130574 2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]pentanedioic acid CKAJHWFHHFSCDT-UHFFFAOYSA-N
919 180.15 C6H12O6 CID: 4180364 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol KEQUNHIAUQQPAC-UHFFFAOYSA-N
920 342.29 C12H22O11 CID: 4623424 2-(hydroxymethyl)-6-[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol HIWPGCMGAMJNRG-UHFFFAOYSA-N
921 172.13 C7H8O5 CID: 4635868 3,4-dihydroxy-5-oxo-1-cyclohexenecarboxylic acid XNEFHYFPRJBTJF-UHFFFAOYSA-N
922 168.23 C10H16O2 CID: 5275520 (2E)-3,7-dimethylocta-2,6-dienoic acid ZHYZQXUYZJNEHD-VQHVLOKHSA-N
923 299.49 C18H37NO2 CID: 5280335 (E,2S,3R)-2-amino-4-octadecene-1,3-diol WWUZIQQURGPMPG-KRWOKUGFSA-N
924 410.71 C30H50 CID: 5280370 (14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene YYGNTYWPHWGJRM-YMUIKIMESA-N
925 284.26 C16H12O5 CID: 5280373 5,7-dihydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one WUADCCWRTIWANL-UHFFFAOYSA-N
926 268.26 C16H12O4 CID: 5280378 7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one HKQYGTCOTHHOMP-UHFFFAOYSA-N
927 432.37 C21H20O10 CID: 5280441 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-1-benzopyran-4-one SGEWCQFRYRRZDC-VPRICQMDSA-N
928 286.23 C15H10O6 CID: 5280445 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one IQPNAANSBPBGFQ-UHFFFAOYSA-N
929 280.44 C18H32O2 CID: 5280450 (9Z,12Z)-octadeca-9,12-dienoic acid OYHQOLUKZRVURQ-HZJYTTRNSA-N
930 115.08 C4H5NO3 CID: 5280451 (Z)-4-amino-4-oxo-2-butenoic acid FSQQTNAZHBEJLS-UPHRSURJSA-N
931 192.16 C10H8O4 CID: 5280460 7-hydroxy-6-methoxy-1-benzopyran-2-one RODXRVNMMDRFIK-UHFFFAOYSA-N
932 130.09 C5H6O4 CID: 5280498 (E)-2-pentenedioic acid XVOUMQNXTGKGMA-OWOJBTEDSA-N
933 210.22 C11H14O4 CID: 5280507 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol LZFOPEXOUVTGJS-ONEGZZNKSA-N
934 178.18 C10H10O3 CID: 5280536 (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenal DKZBBWMURDFHNE-NSCUHMNNSA-N
935 176.16 C10H8O3 CID: 5280567 7-hydroxy-4-methyl-1-benzopyran-2-one HSHNITRMYYLLCV-UHFFFAOYSA-N
936 220.35 C15H24O CID: 5280598 (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal YHRUHBBTQZKMEX-YFVJMOTDSA-N
937 384.63 C27H44O CID: 5280795 (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol QYSXJUFSXHHAJI-YRZJJWOYSA-N
938 208.21 C11H12O4 CID: 5280802 (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal CDICDSOGTRCHMG-ONEGZZNKSA-N
939 464.37 C21H20O12 CID: 5280804 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-benzopyran-4-one OVSQVDMCBVZWGM-QSOFNFLRSA-N
940 164.15 C9H8O3 CID: 5280841 (Z)-3-(2-hydroxyphenyl)-2-propenoic acid PMOWTIHVNWZYFI-WAYWQWQTSA-N
941 286.23 C15H10O6 CID: 5280863 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one IYRMWMYZSQPJKC-UHFFFAOYSA-N
942 354.48 C20H34O5 CID: 5280886 (Z)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid PXGPLTODNUVGFL-ZWAKLXPCSA-N
943 352.46 C20H32O5 CID: 5280887 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]-5-heptenoic acid LOLJEILMPWPILA-AMFHKTBMSA-N
944 278.42 C18H30O2 CID: 5280934 (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid DTOSIQBPPRVQHS-PDBXOOCHSA-N
945 270.23 C15H10O5 CID: 5280961 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one TZBJGXHYKVUXJN-UHFFFAOYSA-N
946 460.43 C22H24N2O9 CID: 5280972 (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione FYDOORKXBWEKQM-GUQPPTOYSA-N
947 254.23 C15H10O4 CID: 5281607 5,7-dihydroxy-2-phenyl-1-benzopyran-4-one RTIXKCRFFJGDFG-UHFFFAOYSA-N
948 316.26 C16H12O7 CID: 5281654 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one IZQSVPBOUDKVDZ-UHFFFAOYSA-N
949 318.23 C15H10O8 CID: 5281672 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one IKMDFBPHZNJCSN-UHFFFAOYSA-N
950 302.23 C15H10O7 CID: 5281701 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one ARSRJFRKVXALTF-UHFFFAOYSA-N
951 254.23 C15H10O4 CID: 5281708 7-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one ZQSIJRDFPHDXIC-UHFFFAOYSA-N
952 284.26 C16H12O5 CID: 5281804 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-1-benzopyran-4-one KQMVAGISDHMXJJ-UHFFFAOYSA-N
953 302.19 C14H6O8 CID: 5281855   AFSDNFLWKVMVRB-UHFFFAOYSA-N
954 346.28 C17H14O8 CID: 5281953 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-4-one UZMAPBJVXOGOFT-UHFFFAOYSA-N
955 347.53 C22H37NO2 CID: 5281969 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide LGEQQWMQCRIYKG-DOFZRALJSA-N
956 417.62 C26H43NO3 CID: 5282106 (Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-9-octadecenamide QQBPLXNESPTPNU-KTKRTIGZSA-N
957 332.26 C16H12O8 CID: 5282154 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one CFYMYCCYMJIYAB-UHFFFAOYSA-N
958 114.14 C6H10O2 CID: 5282707 (E)-2-hexenoic acid NIONDZDPPYHYKY-SNAWJCMRSA-N
959 310.51 C20H38O2 CID: 5282768 (Z)-11-icosenoic acid BITHHVVYSMSWAG-KTKRTIGZSA-N
960 356.53 C21H40O4 CID: 5283468 (Z)-9-octadecenoic acid 2,3-dihydroxypropyl ester RZRNAYUHWVFMIP-KTKRTIGZSA-N
961 398.66 C28H46O CID: 5283772 (1S)-3-[(E)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]-1-methylvinyl]-4-methyl-1-cyclohex-3-enol LSMNSOVKLBDZMU-DUVJLZCRSA-N
962 294.47 C19H34O2 CID: 5284421 (9Z,12Z)-octadeca-9,12-dienoic acid methyl ester WTTJVINHCBCLGX-NQLNTKRDSA-N
963 97.092 C5H5O2 CID: 5288268 5-methyl-2-furanolate FNEJQOIAGPBETK-UHFFFAOYSA-M
964 103.11 C4H9NO2 CID: 5288725 (2S)-2-(methylamino)propanoic acid GDFAOVXKHJXLEI-VKHMYHEASA-N
965 324.18 C9H13N2O9P CID: 5315131 [(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate DJJCXFVJDGTHFX-PSQAKQOGSA-N
966 100.15 C6H12O CID: 5318042 (E)-2-hexen-1-ol ZCHHRLHTBGRGOT-SNAWJCMRSA-N
967 192.12 C6H8O7 CID: 5318532 (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid ODBLHEXUDAPZAU-ZAFYKAAXSA-N
968 478.40 C22H22O12 CID: 5318644 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-benzopyran-4-one CQLRUIIRRZYHHS-UVHBULKNSA-N
969 356.53 C21H40O4 CID: 5319879 (Z)-9-octadecenoic acid [2-hydroxy-1-(hydroxymethyl)ethyl] ester UPWGQKDVAURUGE-KTKRTIGZSA-N
970 296.53 C20H40O CID: 5320547 (Z)-3,7,11,15-tetramethyl-2-hexadecen-1-ol BOTWFXYSPFMFNR-HKWRFOASSA-N
971 414.70 C29H50O CID: 5321342 (3S,10R,13R,17R)-17-(4-ethyl-1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol KZJWDPNRJALLNS-LRWZISJQSA-N
972 412.69 C29H48O CID: 5321515 (10R,13R)-17-[(E)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol HCXVJBMSMIARIN-JQSSNMPVSA-N
973 242.23 C12H10N4O2 CID: 5326566 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione ZJTJUVIJVLLGSP-UHFFFAOYSA-N
974 144.12 C6H8O4 CID: 5351896 (E)-3-hexenedioic acid YHGNXQAFNHCBTK-OWOJBTEDSA-N
975 384.63 C27H44O CID: 5353527 (3E)-3-[(2E)-2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol QYSXJUFSXHHAJI-FWSOMWAYSA-N
976 412.69 C29H48O CID: 5356634 (5R,8R,9S,10S,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one RTLUSWHIKFIQFU-DALQDKCESA-N
977 142.10 C6H6O4 CID: 5356793 (2E,4E)-hexa-2,4-dienedioic acid TXXHDPDFNKHHGW-ZPUQHVIOSA-N
978 296.48 C19H36O2 CID: 5364509 (Z)-9-octadecenoic acid methyl ester QYDYPVFESGNLHU-KHPPLWFESA-N
979 272.46 C20H32 CID: 5365927 (6E,8E,10E)-2,6,11,15-tetramethylhexadeca-2,6,8,10,14-pentaene ZUXCVSSOFQSXFF-LAJGPCJBSA-N
980 296.53 C20H40O CID: 5366244 (E)-3,7,11,15-tetramethyl-2-hexadecen-1-ol BOTWFXYSPFMFNR-HMMYKYKNSA-N
981 224.25 C15H12O2 CID: 5367146 (E)-3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one UDOOPSJCRMKSGL-ZHACJKMWSA-N
982 143.14 C6H9NO3 CID: 5369191 (E)-4-(ethylamino)-4-oxo-2-butenoic acid HBQGCOWNLUOCBU-ONEGZZNKSA-N
983 249.31 C16H15N3 CID: 5377207 1-[(Z)-3-indolylidenemethyl]-2-(4-methylphenyl)hydrazine QMNOEPUUCJHLKA-ACCUITESSA-N
984 198.06 C4H7O7P CID: 5459862 [(2R,3R)-2,3-dihydroxy-4-oxobutyl] phosphate NGHMDNPXVRFFGS-IUYQGCFVSA-L
985 210.18 C7H14O7 CID: 5459879 (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxy-2-heptanone HSNZZMHEPUFJNZ-SHUUEZRQSA-N
986 342.29 C12H22O11 CID: 5460022 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanal AYRXSINWFIIFAE-YJOKQAJESA-N
987 268.21 C9H16O9 CID: 5460194 (2R)-3-hydroxy-2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propanoic acid DDXCFDOPXBPUJC-SAYMMRJXSA-N
988 210.13 C6H10O8 CID: 5460673 (2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanedioic acid DSLZVSRJTYRBFB-AJSXGEPRSA-N
989 342.29 C12H22O11 CID: 5460935 (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-hexanone RULSWEULPANCDV-PIXUTMIVSA-N
990 176.16 C7H12O5 CID: 5462261 (2R,3S)-2-hydroxy-3-isopropylbutanedioic acid RNQHMTFBUSSBJQ-CRCLSJGQSA-N
991 442.37 C22H18O10 CID: 6419835 3,4,5-trihydroxybenzoic acid [(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester LSHVYAFMTMFKBA-CTNGQTDRSA-N
992 365.23 C10H16N5O8P CID: 6419976 [(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate hydrate ZOEFQKVADUBYKV-MCDZGGTQSA-N
993 364.65 C14H32O5Si3 CID: 6427169 (3S,4R,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)-2-tetrahydrofuranone RJMKTJPGOIYTQZ-XQQFMLRXSA-N
994 296.53 C20H40O CID: 6430833 (Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol BOTWFXYSPFMFNR-QYLFUYDXSA-N
995 414.70 C29H50O CID: 6432744 (3S)-17-(4-ethyl-1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol KZJWDPNRJALLNS-GDQWMHGZSA-N
996 354.30 C16H18O9 CID: 6537496 (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoallyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid CWVRJTMFETXNAD-VQWGVLBKSA-N
997 303.31 C12H21N3O6 CID: 9882882 (2S)-1-[(3S)-3-[[(3S)-3-amino-4-hydroxy-4-oxobutyl]amino]-4-hydroxy-4-oxobutyl]-2-azetidinecarboxylic acid KRGPXXHMOXVMMM-CIUDSAMLSA-N
998 306.26 C15H14O7 CID: 9882981 (2S,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol XMOCLSLCDHWDHP-DOMZBBRYSA-N
999 93.117 C3H7NO2 CID: 12205373 (2S)-2-amino-2,3,3,3-tetradeuteriopropanoic acid QNAYBMKLOCPYGJ-IALWIIEESA-N
1000 173.23 C9H11NO2 CID: 13000987 (2S)-2-amino-2,3,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid COLNVLDHVKWLRT-WYMAAGAPSA-N
1001 442.37 C22H18O10 CID: 15689618 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-chromanyl] ester LVJJFMLUMNSUFN-LAUBAEHRSA-N
1002 390.38 C17H26O10 CID: 16212335 (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester AMBQHHVBBHTQBF-SQSCWSLKSA-N
1003 392.69 C27H46O CID: 16213400 (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol HVYWMOMLDIMFJA-HHPLMCQASA-N
1004 183.20 C9H11NO3 CID: 16213445 (2S)-2-amino-3,3-dideuterio-3-(4-hydroxyphenyl)propanoic acid OUYCCCASQSFEME-KETSZMSZSA-N
1005 192.16 C7H12O6 CID: 16213610 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]ethanone ZXTKSWFCRRTTMN-PAMBMQIZSA-N
1006 187.19 C6H12O6 CID: 16217112 (2S,3R,4S,5S,6R)-2,3,4,5,6-pentadeuterio-6-[dideuterio(hydroxy)methyl]tetrahydropyran-2,3,4,5-tetrol WQZGKKKJIJFFOK-KKGCZVNTSA-N
1007 344.31 C12H24O11 CID: 16217663 (2S,3R,4R)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol VQHSOMBJVWLPSR-IOWGVSMYSA-N
1008 142.15 C4H8N2O3 CID: 16217724 (2S)-2,3,3-trideuterio-2,4-bis(dideuterioamino)-4-oxobutanoic acid deuterio ester DCXYFEDJOCDNAF-VYGMAKJPSA-N
1009 235.19 C8H13NO7 CID: 16218892 (2S,3S,4R,5R)-5-acetamido-3,4,6-trihydroxy-2-tetrahydropyrancarboxylic acid KSOXQRPSZKLEOR-OEGLBHDSSA-N
1010 358.29 C12H22O12 CID: 16219560 (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid JYTUSYBCFIZPBE-QLRGDERGSA-N
1011 281.26 C11H15N5O4 CID: 16219662 (5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)tetrahydrofuran-3,4-diol GFYLSDSUCHVORB-DFKYELRASA-N
1012 210.18 C7H14O7 CID: 16219957 (1R,2S,3R,4S,5R)-1-(hydroxymethyl)-7,8-dioxabicyclo[3.2.1]octane-2,3,4-triol hydrate TXADMKCMMLBFTL-CQJQEINESA-N
1013 194.18 C7H14O6 CID: 17751029 (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyltetrahydropyran-2,3,4,5-tetrol YBLJYSTXRAWBBH-VOQCIKJUSA-N