> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
Styrene, 2,5-dimethoxy-alpha,4-dimethyl-
|
14485987 |
Click to see
CC1=CC(=C(C=C1OC)C(=C)C)OC
|
192.25 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Benzenoids / Benzene and substituted derivatives / Phenylpropenes
|
2-Methoxy-4-methyl-1-(prop-1-en-2-yl)benzene
|
12347540 |
Click to see
CC1=CC(=C(C=C1)C(=C)C)OC
|
162.23 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Benzenoids / Phenol ethers / Anisoles
|
1,2,3-Trimethoxybenzene
|
12462 |
Click to see
COC1=C(C(=CC=C1)OC)OC
|
168.19 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
[(2Z,4S,7R,8R,9R,11R)-7-(chloromethyl)-7-hydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
|
163192877 |
Click to see
CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(C(=O)O3)(CCl)O)C)C
|
410.80 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,7R,8S,9S,10R,11R)-7-(chloromethyl)-7,10-dihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
|
162999036 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C3=CC(=O)C(C1O)(O3)C)C)OC(=O)C2(CCl)O
|
426.80 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[7-(Chloromethyl)-7,10-dihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylbut-2-enoate
|
162999034 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C3=CC(=O)C(C1O)(O3)C)C)OC(=O)C2(CCl)O
|
426.80 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
(E)-(7R,11R)-3,7,11,15-tetramethylhexadec-2-ene-1-ol
|
145386 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Rel-(7S,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
|
40467768 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
|
296.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
|
2-Isopropyl-5-methylanisole
|
14104 |
Click to see
CC1=CC(=C(C=C1)C(C)C)OC
|
164.24 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
2,5-Dimethoxy-p-cymene
|
6427071 |
Click to see
CC1=CC(=C(C=C1OC)C(C)C)OC
|
194.27 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(2Z,6E,10S)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
|
162879936 |
Click to see
CC(=CCCC(C)(C=C)O)CCC=C(C)CO
|
238.37 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(3S,6E,9R)-3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol
|
163069129 |
Click to see
CC(=CC(CC(=CCCC(C)(C=C)O)C)O)C
|
238.37 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(3S,6E)-Nerolidol
|
5281525 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
|
23204 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
3,7,11-Trimethyldodeca-1,6,10-triene-3,9-diol
|
71360372 |
Click to see
CC(=CC(CC(=CCCC(C)(C=C)O)C)O)C
|
238.37 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
beta-CARYOPHYLLENE OXIDE
|
1742210 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
|
26318 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Caryophyllene epoxide
|
14350 |
Click to see
CC1(CC2C1CCC3(C(O3)CCC2=C)C)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Humulene
|
5281520 |
Click to see
CC1=CCC(C=CCC(=CCC1)C)(C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Nerolidol
|
8888 |
Click to see
CC(=CCCC(=CCCC(C)(C=C)O)C)C
|
222.37 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
(1aR,4aR,7S,7aS,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
|
13854258 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
beta-Spathulenol
|
522266 |
Click to see
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
|
220.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Triquinane sesquiterpenoids / Angular triquinanes
|
(-)-Isocomene
|
11030948 |
Click to see
CC1CCC2(C13CCCC3(C=C2C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(1R,2R,5R,8R,9S)-2,5,9-trimethyltricyclo[6.3.0.01,5]undec-3-ene
|
162959691 |
Click to see
CC1CCC23C1CCC2(C=CC3C)C
|
190.32 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(1R,2S,5R,8R,9S)-2,5,9-trimethyltricyclo[6.3.0.01,5]undec-3-ene
|
162959692 |
Click to see
CC1CCC23C1CCC2(C=CC3C)C
|
190.32 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(1R,3aS,5aS,8aR)-1,3a,5a-Trimethyl-4-methylenedecahydrocyclopenta[c]pentalene
|
15119559 |
Click to see
CC1CCC2(C13CCCC3(CC2=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
|
42608195 |
Click to see
CC1CCC23C1(CCC2)C(=CC3(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(1S,8aS)-Decahydro-1beta,3abeta,5aalpha-trimethyl-4-methylenecyclopenta[c]pentalene
|
101622047 |
Click to see
CC1CCC2(C13CCCC3(CC2=C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
1-Silfinene
|
10420471 |
Click to see
CC1CCC2C13C=CCC3(CC2(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
|
11790334 |
Click to see
CC1CCC23C1(CCC2)C(=CC3(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
2,5,9-Trimethyltricyclo[6.3.0.01,5]undec-3-ene
|
162959690 |
Click to see
CC1CCC23C1CCC2(C=CC3C)C
|
190.32 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
5,7,7,11-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene
|
13919645 |
Click to see
CC1CCC2C13C=CCC3(CC2(C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Berkheyaradulene
|
14034017 |
Click to see
CC1CCC2(C13CCCC3(C=C2C)C)C
|
204.35 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
21635582 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
|
957.10 |
unknown |
via CMAUP database |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
101923141 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C
|
795.00 |
unknown |
via CMAUP database |
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
|
11803947 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC6(C(=CCC7C6(CCC8C7(CCC(C8(C)C)O)C)C)C4CC(C(=O)C5)(C)C)C)O)O)O)CO)O)O)O
|
941.10 |
unknown |
via CMAUP database |
Araloside A
|
10079497 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
|
927.10 |
unknown |
via CMAUP database |
Calenduloside E
|
176079 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C
|
632.80 |
unknown |
via CMAUP database |
Calenduloside F
|
13909684 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
|
795.00 |
unknown |
via CMAUP database |
Glycoside ST-J
|
101720880 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(C(O9)C(=O)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O
|
1103.20 |
unknown |
via CMAUP database |
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
|
21669007 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C
|
971.10 |
unknown |
via CMAUP database |
Narcissiflorine
|
162878 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C
|
764.90 |
unknown |
via CMAUP database |
Papyrioside LF
|
10819773 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC6(C(=CCC7C6(CCC8C7(CCC(C8(C)C)O)C)C)C4CC(C(=O)C5)(C)C)C)O)O)O)COC(=O)C)O)O)O
|
983.10 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 2-methylbut-2-enoate
|
74202859 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C3=CC(=O)C(C1O)(O3)C)C)OC(=O)C2=C
|
374.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 2-methylprop-2-enoate
|
162980517 |
Click to see
CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)C(=C)C)C(=C)C(=O)O2
|
360.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
|
162910816 |
Click to see
CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C
|
358.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
|
162910814 |
Click to see
CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C
|
358.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
|
163186284 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C3=CC(=O)C(C1O)(O3)C)C)OC(=O)C2=C
|
374.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
|
24011587 |
Click to see
CC=C(C)C(=O)OC1C2C(C=C(C3=CC(=O)C(C1O)(O3)C)C)OC(=O)C2=C
|
374.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(2Z,4S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylprop-2-enoate
|
162980520 |
Click to see
CC1=CC2C(C(C(C3(C(=O)C=C1O3)C)O)OC(=O)C(=C)C)C(=C)C(=O)O2
|
360.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
(8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl) 2-methylbut-2-enoate
|
78410063 |
Click to see
CC=C(C)C(=O)OC1CC2(C(O2)CC(C(=CC3C1C(=C)C(=O)O3)C)OC(=O)C)C
|
404.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(1R,2R,4S,6R,8S,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate
|
163188811 |
Click to see
CC=C(C)C(=O)OC1CC2(C(O2)CC(C(=CC3C1C(=C)C(=O)O3)C)OC(=O)C)C
|
404.50 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
[(3aR,4S,6Z,10E,11aR)-6-(acetyloxymethyl)-10-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
|
42646678 |
Click to see
CC(=O)OCC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)CO)C(=C)C(=O)O2)C=O
|
404.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(3R,4aR,6aR,6aS,6bR,8aR,12aS)-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12-decahydro-1H-picene-4a-carboxylic acid
|
101277260 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC1O)C(=O)O)C)C)(C)C)C)C
|
468.70 |
unknown |
via CMAUP database |
(3R,4R,4aS,6aR,6aS,6bR,8aR,10R,12aS)-3,4,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
16112781 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C(=O)O)C)C)(C)C)O)C)C
|
486.70 |
unknown |
via CMAUP database |
(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
|
12358398 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
15379012 |
Click to see
CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)O)C)C(=O)O)C
|
604.80 |
unknown |
via CMAUP database |
(4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
102239749 |
Click to see
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)O)C)C
|
470.70 |
unknown |
via CMAUP database |
(4aR,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylic acid
|
16112782 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)O)C)C
|
468.70 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-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
|
10395290 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C
|
751.00 |
unknown |
via CMAUP database |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
13878127 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)O)C
|
588.80 |
unknown |
via CMAUP database |
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,6aR,6bS,8aR,10R,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,14b-decahydro-1H-picene-4a-carboxylate
|
10605857 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC6(C(=CC=C7C6(CCC8C7(CCC(C8(C)C)O)C)C)C4CC(C(=O)C5)(C)C)C)O)O)O)CO)O)O)O
|
939.10 |
unknown |
via CMAUP database |
Olean-12-en-3beta-ol
|
225689 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Papyriogenin A
|
3081523 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)C)C
|
466.70 |
unknown |
via CMAUP database |
Papyriogenin C
|
3081568 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)O)C)C
|
468.70 |
unknown |
via CMAUP database |
Papyriogenin E
|
101277261 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)O)C)C)(C)C)O)C)C
|
470.70 |
unknown |
via CMAUP database |
Papyrioside LH
|
10748397 |
Click to see
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC6(C(=CC=C7C6(CCC8C7(CCC(=O)C8(C)C)C)C)C4CC(C(=O)C5)(C)C)C)O)O)O)CO)O)O)O
|
937.10 |
unknown |
via CMAUP database |
Squalene
|
638072 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
Super Squalene; trans-Squalene;AddaVax
|
1105 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
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 |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
(4aR,6aR,6bS,14aR,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,12,14a-octahydro-1H-picene-3,10-dione
|
102588576 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(=O)C(C5CCC4(C3(CCC2=CC1=O)C)C)(C)C)C)C
|
420.60 |
unknown |
via CMAUP database |
3alpha-Hydroxy-28-noroleana-11,13(18),17(22)-triene-21-one
|
102588575 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC2=CC1=O)C)C)(C)C)O)C)C
|
422.60 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Benzofurans
|
1-Benzofuran-5-carbaldehyde
|
2773875 |
Click to see
C1=CC2=C(C=CO2)C=C1C=O
|
146.14 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Bi- and oligothiophenes
|
[5-(5-But-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl acetate
|
5315563 |
Click to see
CC(=O)OCC1=CC=C(S1)C2=CC=C(S2)C#CC=C
|
288.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
2-[5-(5-Prop-1-ynylthiophen-2-yl)thiophen-2-yl]ethyl acetate
|
163081858 |
Click to see
CC#CC1=CC=C(S1)C2=CC=C(S2)CCOC(=O)C
|
290.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
2,2'-Bithiophene, 5-(3-buten-1-ynyl)-5'-methyl-
|
3083681 |
Click to see
CC1=CC=C(S1)C2=CC=C(S2)C#CC=C
|
230.40 |
unknown |
https://doi.org/10.1016/0031-9422(81)85166-7 |
> Organoheterocyclic compounds / Lactones / Beta propiolactones
|
(1S,2R,5R,7R,10S,11R,18S,19S,22S)-7,18-dihydroxy-1,2,6,6,10,17,17-heptamethyl-20-oxahexacyclo[12.10.0.02,11.05,10.015,22.019,22]tetracosa-12,14-dien-21-one
|
101967008 |
Click to see
CC1(CC2=C3C=CC4C5(CCC(C(C5CCC4(C3(CCC26C(C1O)OC6=O)C)C)(C)C)O)C)C
|
468.70 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 3,4-dihydrocoumarins
|
3,4-Dihydrocoumarin
|
660 |
Click to see
C1CC(=O)OC2=CC=CC=C21
|
148.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamyl alcohols
|
Phenylallyl alcohol
|
308 |
Click to see
C1=CC=C(C=C1)C=CCO
|
134.17 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
Coumarin
|
323 |
Click to see
C1=CC=C2C(=C1)C=CC(=O)O2
|
146.14 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Kaempferol 3,4',7-triacetate
|
44584293 |
Click to see
CC(=O)OC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)O)OC(=O)C
|
412.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Afzelin
|
5316673 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
|
432.40 |
unknown |
via CMAUP database |
Astragalin
|
5282102 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
448.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside)
|
11678667 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)OC(=O)C=CC5=CC=C(C=C5)O)O)O
|
578.50 |
unknown |
via CMAUP database |
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
|
11607311 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)OC(=O)C=CC5=CC=C(C=C5)O)OC(=O)C=CC6=CC=C(C=C6)O)O
|
724.70 |
unknown |
via CMAUP database |