> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Acylaminobenzoic acid and derivatives
|
4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]benzoic acid
|
97575 |
Click to see
C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C=O
|
340.29 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
Roseoside
|
9930064 |
Click to see
CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C
|
386.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
|
Abscisic acid
|
5280896 |
Click to see
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
|
264.32 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
Nuezhenidic acid
|
134715173 |
Click to see
COC(=O)C1=COC(C(C1CC(=O)O)(CC(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
|
452.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
Oleoside dimethyl ester
|
14038300 |
Click to see
CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OC
|
418.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
|
7-Ketologanin
|
12311348 |
Click to see
CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC
|
388.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Androstane steroids
|
(5S,6S,8S,9S,10S,11R,13S,14S)-6,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
|
92835934 |
Click to see
CC12CCCCC1C(CC3C2C(CC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Androstane steroids / Androgens and derivatives
|
(3beta,5alpha,7alpha)-3,7-Dihydroxyandrostan-17-one
|
9815044 |
Click to see
CC12CCC(CC1CC(C3C2CCC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
(3R,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
|
57386710 |
Click to see
CC12CCC(CC1CC(C3C2CCC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
(3R,5R,8R,9S,10S,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
|
69924431 |
Click to see
CC12CCC3C(C1CCC2O)C(=O)CC4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
|
57386713 |
Click to see
CC12CCC(CC1CC(=O)C3C2CCC4(C3CCC4=O)C)O
|
304.40 |
unknown |
via CMAUP database |
(3R,5S,6S,8R,9S,10R,13S,14S)-3,6-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
|
69766330 |
Click to see
CC12CCC(CC1C(CC3C2CCC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
(3S,5R,7R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol
|
99574281 |
Click to see
CC12CCC3C(C1CC(C2)O)C(CC4C3(CCC(C4)O)C)O
|
308.50 |
unknown |
via CMAUP database |
(3S,5R,7S,8S,9S,10S,13S,14S,16S)-3,7,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
|
99572894 |
Click to see
CC12CCC(CC1CC(C3C2C(=O)CC4(C3CC(C4)O)C)O)O
|
322.40 |
unknown |
via CMAUP database |
(3S,5R,8S,9S,10S,13R,14S,16R)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
|
99573267 |
Click to see
CC12CCC3C(C1CC(C2)O)C(=O)CC4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
(3S,5R,8S,9S,10S,13R,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
|
99573266 |
Click to see
CC12CCC3C(C1CC(C2)O)C(=O)CC4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
(3S,5S,6S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol
|
99574278 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(C4C3(CCC(C4)O)C)O
|
308.50 |
unknown |
via CMAUP database |
(3S,5S,8S,9S,10R,13R,14S,16R)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
99571962 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(=O)C4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
(3S,5S,8S,9S,10R,13R,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
99571961 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(=O)C4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
(3S,5S,8S,9S,10S,13S,14S,16R)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
|
99601533 |
Click to see
CC12CCC(CC1CCC3C2C(=O)CC4(C3CC(C4)O)C)O
|
306.40 |
unknown |
via CMAUP database |
(3S,5S,8S,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
|
99575783 |
Click to see
CC12CCC(CC1CCC3C2C(=O)CC4(C3CC(C4)O)C)O
|
306.40 |
unknown |
via CMAUP database |
(5R,8S,9S,10S,13R,14S,16S)-16-hydroxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
|
99571971 |
Click to see
CC12CCC3C(C1CC(C2)O)C(=O)CC4C3(CCC(=O)C4)C
|
304.40 |
unknown |
via CMAUP database |
(5S,6R,8S,9S,10R,13R,14S,16S)-6,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
|
99573707 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(C4C3(CCC(=O)C4)C)O
|
306.40 |
unknown |
via CMAUP database |
(5S,6S,8S,9S,10R,13R,14S,16R)-6,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
|
99573706 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(C4C3(CCC(=O)C4)C)O
|
306.40 |
unknown |
via CMAUP database |
(5S,6S,8S,9S,10R,13R,14S,16S)-6,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
|
99573705 |
Click to see
CC12CCC3C(C1CC(C2)O)CC(C4C3(CCC(=O)C4)C)O
|
306.40 |
unknown |
via CMAUP database |
(5S,6S,8S,9S,10S,11R,13S,14S)-6,11-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
|
99574441 |
Click to see
CC12CCCC1C3CC(C4CC(=O)CCC4(C3C(C2)O)C)O
|
306.40 |
unknown |
via CMAUP database |
(5S,8S,9R,10S,13S,14S,16R)-9,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
|
99571360 |
Click to see
CC12CCC(=O)CC1CCC3C2(C(=O)CC4(C3CC(C4)O)C)O
|
320.40 |
unknown |
via CMAUP database |
(5S,8S,9R,10S,13S,14S,16S)-9,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
|
99571358 |
Click to see
CC12CCC(=O)CC1CCC3C2(C(=O)CC4(C3CC(C4)O)C)O
|
320.40 |
unknown |
via CMAUP database |
(5S,8S,9S,10S,13S,14S,16R)-16-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
|
99574177 |
Click to see
CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CC(C4)O)C
|
304.40 |
unknown |
via CMAUP database |
(5S,8S,9S,10S,13S,14S,16S)-16-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
|
99574175 |
Click to see
CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CC(C4)O)C
|
304.40 |
unknown |
via CMAUP database |
11-Hydroxyandrosterone
|
21139727 |
Click to see
CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
11alpha-Hydroxy-5alpha-androstane-3,17-dione
|
101709630 |
Click to see
CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4=O)C)O
|
304.40 |
unknown |
via CMAUP database |
11alpha,16alpha-Dihydroxy-5alpha-androstan-3-one
|
100922644 |
Click to see
CC12CCC(=O)CC1CCC3C2C(CC4(C3CC(C4)O)C)O
|
306.40 |
unknown |
via CMAUP database |
3beta-Hydroxy-5alpha-androstane-7,17-dione
|
11954160 |
Click to see
CC12CCC(CC1CC(=O)C3C2CCC4(C3CCC4=O)C)O
|
304.40 |
unknown |
via CMAUP database |
3beta,6alpha,17beta-Trihydroxy-5alpha-androstane
|
170796 |
Click to see
CC12CCC3C(C1CCC2O)CC(C4C3(CCC(C4)O)C)O
|
308.50 |
unknown |
via CMAUP database |
5,17beta-Dihydroxy-5alpha-androstane-3-one
|
10979706 |
Click to see
CC12CCC3C(C1CCC2O)CCC4(C3(CCC(=O)C4)C)O
|
306.40 |
unknown |
via CMAUP database |
5alpha-Androstan-11-one, 3alpha,17beta-dihydroxy-
|
10125601 |
Click to see
CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4O)C)O
|
306.40 |
unknown |
via CMAUP database |
5alpha-Androstan-3-one, 11alpha,17beta-dihydroxy-
|
22796602 |
Click to see
CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4O)C)O
|
306.40 |
unknown |
via CMAUP database |
5alpha-Androstan-3beta,17beta-diol-7-one
|
11868973 |
Click to see
CC12CCC3C(C1CCC2O)C(=O)CC4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
5alpha-Androstan-6-one, 3beta,17beta-dihydroxy-
|
11551286 |
Click to see
CC12CCC3C(C1CCC2O)CC(=O)C4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
5alpha-Androstane-3,7,17-trione
|
11266632 |
Click to see
CC12CCC(=O)CC1CC(=O)C3C2CCC4(C3CCC4=O)C
|
302.40 |
unknown |
via CMAUP database |
5alpha-Androstane-3beta,11alpha,16beta-triol
|
100922640 |
Click to see
CC12CCC(CC1CCC3C2C(CC4(C3CC(C4)O)C)O)O
|
308.50 |
unknown |
via CMAUP database |
5alpha-Androstane-3beta,11alpha,17beta-triol
|
57396177 |
Click to see
CC12CCC(CC1CCC3C2C(CC4(C3CCC4O)C)O)O
|
308.50 |
unknown |
via CMAUP database |
6alpha-Hydroxy-EPIA
|
15917986 |
Click to see
CC12CCC(CC1C(CC3C2CCC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
7-beta-Hydroxyepiandrosterone
|
9836181 |
Click to see
CC12CCC(CC1CC(C3C2CCC4(C3CCC4=O)C)O)O
|
306.40 |
unknown |
via CMAUP database |
Androstan-3-one, 6,17-dihydroxy-, (5alpha,6alpha,17beta)-
|
15838416 |
Click to see
CC12CCC3C(C1CCC2O)CC(C4C3(CCC(=O)C4)C)O
|
306.40 |
unknown |
via CMAUP database |
Androstan-6-one, 3,17-dihydroxy-, (3alpha,5alpha,17beta)-
|
15929496 |
Click to see
CC12CCC3C(C1CCC2O)CC(=O)C4C3(CCC(C4)O)C
|
306.40 |
unknown |
via CMAUP database |
Androstane-3,17-dione, 6-hydroxy-, (5alpha,6alpha)-
|
22296022 |
Click to see
CC12CCC(=O)CC1C(CC3C2CCC4(C3CCC4=O)C)O
|
304.40 |
unknown |
via CMAUP database |
Jgd4N79M5A
|
68995028 |
Click to see
CC12CCC3C(C1CCC2O)C(CC4C3(CCC(C4)O)C)O
|
308.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid esters
|
10-Hydroxy-3-oxoestr-4-en-17-yl acetate
|
91691749 |
Click to see
CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34O)C
|
332.40 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
|
(E)-but-2-enedioate;hydron
|
21883788 |
Click to see
[H+].[H+].C(=CC(=O)[O-])C(=O)[O-]
|
116.07 |
unknown |
via CMAUP database |
Butanedioate;hydron
|
21952380 |
Click to see
[H+].[H+].C(CC(=O)[O-])C(=O)[O-]
|
118.09 |
unknown |
via CMAUP database |
Glutaric acid
|
743 |
Click to see
C(CC(=O)O)CC(=O)O
|
132.11 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Hydroxy acids and derivatives / Alpha hydroxy acids and derivatives
|
2-Oxonioacetate
|
3698251 |
Click to see
C(C(=O)[O-])[OH2+]
|
76.05 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
methyl (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
|
12304886 |
Click to see
CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC
|
404.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
Sucrose
|
5988 |
Click to see
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
|
342.30 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
Eleutheroside B
|
5316860 |
Click to see
COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
|
372.40 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
|
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
|
19233 |
Click to see
CC(C(C(C(C=O)O)O)O)O
|
164.16 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
L-Rhamnose
|
25310 |
Click to see
CC1C(C(C(C(O1)O)O)O)O
|
164.16 |
unknown |
https://doi.org/10.4268/CJCMM20100712 |
> Organoheterocyclic compounds / Quinolines and derivatives / Quinoline carboxylic acids
|
Quininic acid
|
345824 |
Click to see
COC1=CC2=C(C=CN=C2C=C1)C(=O)O
|
203.19 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
7-[(3,3-Dimethyloxiran-2-yl)methoxy]chromen-2-one
|
131843743 |
Click to see
CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)C
|
246.26 |
unknown |
https://doi.org/10.1002/PTR.3170 |
7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]chromen-2-one
|
90689586 |
Click to see
CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)C
|
246.26 |
unknown |
https://doi.org/10.1002/PTR.3170 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Pyranocoumarins / Angular pyranocoumarins
|
(+)-Praeruptorin A
|
73189387 |
Click to see
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
|
386.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |
(10-Acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2-methylbutanoate
|
10157 |
Click to see
CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
|
388.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |
[(9S)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
|
668079 |
Click to see
CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
|
328.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |
Praeruptorin A
|
38347607 |
Click to see
CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
|
386.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |
Selinidin
|
511786 |
Click to see
CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C
|
328.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |
Visnadine
|
442151 |
Click to see
CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
|
388.40 |
unknown |
https://doi.org/10.1002/PTR.3170 |