> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
|
(1'R)-Nepetalic acid
|
12313272 |
Click to see
CC1CCC(C1C(=O)O)C(C)C=O
|
184.23 |
unknown |
https://doi.org/10.1021/NP990523O |
(1R,2S,5S)-2-methyl-5-[(2R)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
|
131141536 |
Click to see
CC1CCC(C1C(=O)O)C(C)C=O
|
184.23 |
unknown |
https://doi.org/10.1021/NP990523O |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP990523O |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1021/NP990523O |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Iridoid O-glycosides
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5-Epideoxyloganic acid
|
158940 |
Click to see
CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP990523O |
Deoxyloganic acid
|
4490284 |
Click to see
CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
360.36 |
unknown |
https://doi.org/10.1021/NP990523O |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3S,4S,4aS,7S,7aR)-3-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
162872435 |
Click to see
CC1CCC2C1C(=O)OC(C2C)OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)C)C)C)CO)C(=C)C)C
|
608.90 |
unknown |
https://doi.org/10.1021/NP990523O |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[[(3S,4S,4aS,7S,7aR)-4,7-dimethyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-3-yl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
162912643 |
Click to see
CC1CCC2C1C(=O)OC(C2C)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C
|
622.90 |
unknown |
https://doi.org/10.1021/NP990523O |
10-[(4,7-dimethyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-3-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
73800159 |
Click to see
CC1CCC2C1C(=O)OC(C2C)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C
|
622.90 |
unknown |
https://doi.org/10.1021/NP990523O |
3-[[3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
73800160 |
Click to see
CC1CCC2C1C(=O)OC(C2C)OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)C)C)C)CO)C(=C)C)C
|
608.90 |
unknown |
https://doi.org/10.1021/NP990523O |
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/10.1021/NP990523O |
Betulin
|
72326 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1021/NP990523O |
Lup-20(29)-en-3-ol, (3beta)-
|
521518 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP990523O |
Lup-20(29)-ene-3beta,28-diol
|
221023 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1021/NP990523O |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1021/NP990523O |
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/10.1021/NP990523O |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(3R,4S,4aS,7S,7aR)-3-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
163021010 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C6CCC(C6C(=O)O5)C)C)C)C)C(C)C
|
580.90 |
unknown |
https://doi.org/10.1021/NP990523O |
(3S,4S,4aS,7S,7aR)-3-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
162859536 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C6CCC(C6C(=O)O5)C)C)C)C)C(C)C
|
580.90 |
unknown |
https://doi.org/10.1021/NP990523O |
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP990523O |
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/10.1021/NP990523O |
3-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
74027212 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC5C(C6CCC(C6C(=O)O5)C)C)C)C)C(C)C
|
580.90 |
unknown |
https://doi.org/10.1021/NP990523O |
3-[[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-yl]oxy]-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
|
73800158 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C6CCC(C6C(=O)O5)C)C)C)C)C(C)C
|
580.90 |
unknown |
https://doi.org/10.1021/NP990523O |
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/10.1021/NP990523O |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP990523O |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1021/NP990523O |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1021/NP990523O |
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
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(1S,2S,5R)-2-acetyl-5-methylcyclopentane-1-carboxylic acid
|
131165134 |
Click to see
CC1CCC(C1C(=O)O)C(=O)C
|
170.21 |
unknown |
https://doi.org/10.1021/NP990523O |
Cyclopentanecarboxylic acid, 2-acetyl-5-methyl-
|
538095 |
Click to see
CC1CCC(C1C(=O)O)C(=O)C
|
170.21 |
unknown |
https://doi.org/10.1021/NP990523O |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
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(3R)-3-(3,4-dihydroxyphenyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
|
163185213 |
Click to see
C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O
|
360.30 |
unknown |
https://doi.org/10.1021/NP990523O |
3-(3,4-Dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
|
77583661 |
Click to see
C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C2=CC(=C(C=C2)O)O)O)O
|
360.30 |
unknown |
https://doi.org/10.1021/NP990523O |