> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
|
1,2-Dihydroxy-6-methylanthraquinone
|
5319503 |
Click to see
CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)O
|
254.24 |
unknown |
https://doi.org/10.1039/J39710002001 |
Anthragallol
|
11768 |
Click to see
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O
|
256.21 |
unknown |
https://doi.org/10.1039/J39710002001 |
Anthraquinone, 2-benzyl-1,3-dihydroxy-
|
630215 |
Click to see
C1=CC=C(C=C1)CC2=C(C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
|
330.30 |
unknown |
https://doi.org/10.1039/J39710002001 |
Damnacanthal
|
2948 |
Click to see
COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O
|
282.25 |
unknown |
https://doi.org/10.1039/J39710002001 |
Damnacanthol
|
160474 |
Click to see
COC1=C2C(=CC(=C1CO)O)C(=O)C3=CC=CC=C3C2=O
|
284.26 |
unknown |
via CMAUP database |
Lucidin
|
10163 |
Click to see
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CO)O
|
270.24 |
unknown |
https://doi.org/10.1039/J39710002001 |
Morindone
|
442756 |
Click to see
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)O)O
|
270.24 |
unknown |
https://doi.org/10.1039/J39710002001 |
Nordamnacanthal
|
160712 |
Click to see
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C=O)O
|
268.22 |
unknown |
https://doi.org/10.1039/J39710002001 |
Rubiadin
|
124062 |
Click to see
CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
|
254.24 |
unknown |
https://doi.org/10.1039/J39710002001 |
Rubiadin 1-methyl ether
|
96191 |
Click to see
CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
|
268.26 |
unknown |
https://doi.org/10.1039/J39710002001 |
Soranjidiol
|
124063 |
Click to see
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)O
|
254.24 |
unknown |
https://doi.org/10.1039/J39710002001 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
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18-Nonadecene-4-yneoic acid
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44203446 |
Click to see
C=CCCCCCCCCCCCCC#CCCC(=O)O
|
292.50 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
20-Henicosene-6-yneoic acid
|
44203444 |
Click to see
C=CCCCCCCCCCCCCC#CCCCCC(=O)O
|
320.50 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
> Lipids and lipid-like molecules / Glycerolipids / Triradylcglycerols / Triacylglycerols
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2,3-Di(nonadec-18-en-4-ynoyloxy)propyl nonadec-18-en-4-ynoate
|
44203468 |
Click to see
C=CCCCCCCCCCCCCC#CCCC(=O)OCC(COC(=O)CCC#CCCCCCCCCCCCCC=C)OC(=O)CCC#CCCCCCCCCCCCCC=C
|
915.40 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
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18-Norabieta-8,11,13-trien-4-ol
|
15605917 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)O)C
|
272.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
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(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-formyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
21729656 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC=O)C)C)C2C1C)C)C(=O)O
|
484.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
(1S,2S,4S,5R,6S,11R,14R,15S,18S,21R,22S,23R)-6,10,10,14,15,21,22-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
|
15240838 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C7C(C4(C2C1C)OC3=O)O7)C)(C)C)C)C
|
468.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,21R,22S,23R)-9-hydroxy-6,10,10,14,15,21,22-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
15598293 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C7C(C4(C2C1C)OC3=O)O7)C)O)(C)C)C)C
|
470.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
(4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
|
11487911 |
Click to see
CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O)C
|
456.70 |
unknown |
via CMAUP database |
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
102150860 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O)C
|
618.80 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
10-formyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
73826747 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC=O)C)C)C2C1C)C)C(=O)O
|
484.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
10-Hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
73088392 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O)C
|
618.80 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
3-Hydroxy-11-ursen-28,13-olide
|
21606663 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C=CC4(C2C1C)OC3=O)C)O)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
3-Oxo-12-ursen-28-oic acid
|
13893949 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O
|
454.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
6,10,10,14,15,21,22-Heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
|
73189934 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C7C(C4(C2C1C)OC3=O)O7)C)(C)C)C)C
|
468.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
9-Hydroxy-6,10,10,14,15,21,22-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
|
15598294 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C7C(C4(C2C1C)OC3=O)O7)C)O)(C)C)C)C
|
470.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
beta-Ursolic acid
|
220774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
CID 4450096
|
4450096 |
Click to see
CC1CCC23CCC4(C5(CCC6C(C(CCC6(C5C=CC4(C2C1C)OC3=O)C)O)(C)C)C)C
|
454.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
Oleanolic Acid
|
10494 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
Uncarinic acid E
|
10746421 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O)C
|
618.80 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
Ursonic Acid
|
9890209 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O
|
454.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
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17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1248/CPB.57.860 |
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Pyranochromenes
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Perforatin A
|
441968 |
Click to see
CC1=CC(=O)C2=C(C=C3C(=C2O1)C=CC(O3)(C)C)OC
|
272.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
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Esculin
|
5281417 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
via CMAUP database |
Esculin hydrate
|
16211025 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O
|
358.30 |
unknown |
via CMAUP database |
Hymexelsin
|
14136086 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O
|
486.40 |
unknown |
https://doi.org/10.1021/NP50059A024 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/NP50059A024 |