> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
|
[(3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxymethyl]-4-(4-methoxyphenyl)oxolan-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
|
51040685 |
Click to see
COC1=CC=C(C=C1)C2C(COC2C(C3=CC(=C(C=C3)OC)OC)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC
|
792.70 |
unknown |
https://doi.org/10.1021/NP100694K |
[(3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxymethyl]-4-(4-methoxyphenyl)oxolan-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
|
51040686 |
Click to see
COC1=CC=C(C=C1)C2C(COC2C(C3=CC(=C(C=C3)OC)OC)OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC
|
792.70 |
unknown |
https://doi.org/10.1021/NP100694K |
> Benzenoids / Benzene and substituted derivatives / Diphenylmethanes
|
Phenol, 2,2'-(2-methylpropylidene)bis(4,6-dimethyl-
|
94446 |
Click to see
CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C(C)C)O)C
|
298.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)85306-K |
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
(3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-(4-methoxyphenyl)oxolan-3-ol
|
51040474 |
Click to see
COC1=CC=C(C=C1)C2C(COC2C(C3=CC(=C(C=C3)OC)OC)O)O
|
360.40 |
unknown |
https://doi.org/10.1021/NP100694K |
1,2-Dimethoxybenzene
|
7043 |
Click to see
COC1=CC=CC=C1OC
|
138.16 |
unknown |
via CMAUP database |
> Benzenoids / Phenols / Methoxyphenols
|
Metasequirin E
|
51040472 |
Click to see
COC1=C(C=CC(=C1)C2C(COC2C(C3=CC(=C(C=C3)O)OC)O)O)O
|
362.40 |
unknown |
https://doi.org/10.1021/NP100694K |
Metasequirin F
|
51040473 |
Click to see
COC1=C(C=CC(=C1)C(C2C(C(CO2)O)C3=CC=C(C=C3)O)O)O
|
332.30 |
unknown |
https://doi.org/10.1021/NP100694K |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
|
(1S,4Z,8R)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
|
18502770 |
Click to see
CC1=CCC(=C)C2CC(C2CC1)(C)C
|
190.32 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
|
(4E,7E)-trideca-1,4,7-triene
|
5322027 |
Click to see
CCCCCC=CCC=CCC=C
|
178.31 |
unknown |
via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
|
1-Nonene
|
31285 |
Click to see
CCCCCCCC=C
|
126.24 |
unknown |
via CMAUP database |
1-Undecene
|
13190 |
Click to see
CCCCCCCCCC=C
|
154.29 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds
|
(-)-Hinokiresinol
|
12310493 |
Click to see
C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
|
252.31 |
unknown |
https://doi.org/10.1021/NP100694K |
(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
|
132587059 |
Click to see
COC1=C(C=CC(=C1)C(C=CC2=CC=C(C=C2)O)C(CO)O)O
|
316.30 |
unknown |
https://doi.org/10.1021/NP100694K |
(2S,3S)-3,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,2-diol
|
132587060 |
Click to see
COC1=C(C=CC(=C1)C=CC(C2=CC(=C(C=C2)O)OC)C(CO)O)O
|
346.40 |
unknown |
https://doi.org/10.1021/NP100694K |
1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene
|
157288 |
Click to see
C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O
|
252.31 |
unknown |
https://doi.org/10.1021/NP100694K |
3,5-Bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
|
614400 |
Click to see
C1=CC(=CC=C1C=CC(C2=CC=C(C=C2)O)C(CO)O)O
|
286.32 |
unknown |
https://doi.org/10.1021/NP100694K |
4-[4,5-Dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol
|
71435637 |
Click to see
C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O
|
302.32 |
unknown |
https://doi.org/10.1021/NP100694K |
Agatharesinol
|
15558522 |
Click to see
C1=CC(=CC=C1C=CC(C2=CC=C(C=C2)O)C(CO)O)O
|
286.32 |
unknown |
https://doi.org/10.1021/NP100694K https://doi.org/10.1016/0040-4020(77)80445-6 |
Metasequirin D
|
51040471 |
Click to see
COC1=C(C=CC(=C1)C=CC(C2=CC(=C(C=C2)O)OC)C(CO)O)O
|
346.40 |
unknown |
https://doi.org/10.1021/NP100694K |
Sequirin C
|
12315463 |
Click to see
C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O
|
302.32 |
unknown |
https://doi.org/10.1021/NP100694K |
Sequosempervirin B
|
70698191 |
Click to see
COC1=C(C=CC(=C1)C(C=CC2=CC=C(C=C2)O)C(CO)O)O
|
316.30 |
unknown |
https://doi.org/10.1021/NP100694K |
Sequosempervirin F
|
70698264 |
Click to see
COC1=C(C=CC(=C1)C2CC(OCC2O)C3=CC=C(C=C3)O)O
|
316.30 |
unknown |
https://doi.org/10.1021/NP100694K |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids
|
2,3-Dimethylacrylic acid, (Z)-
|
643915 |
Click to see
CC=C(C)C(=O)O
|
100.12 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
5-[(1aR,3aR,7aR,7bS)-3a,7b-dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl]-3-methylpent-2-enoic acid
|
138113977 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC3C2(C3)C)C
|
302.50 |
unknown |
https://doi.org/10.1246/CL.1988.123 |
5-[(1S,4aR,5R,6R,8aR)-5-hydroxy-5,6,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
163069463 |
Click to see
CC1CCC2(C(C1(C)O)CCC(=C)C2CCC(=CC(=O)O)C)C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
Metasequoic acid C, (rel)-
|
51040468 |
Click to see
CC1CCC2(C(C1(C)O)CCC(=C)C2CCC(=CC(=O)O)C)C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
(3R)-1-Nonen-3-ol
|
6994068 |
Click to see
CCCCCCC(C=C)O
|
142.24 |
unknown |
via CMAUP database |
cis-3-Hexen-1-ol
|
5281167 |
Click to see
CCC=CCCO
|
100.16 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
|
(R)-nonacosan-10-ol
|
342803 |
Click to see
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
|
424.80 |
unknown |
https://doi.org/10.1515/ZNB-1968-0411 |
Nonacosan-10-ol
|
25240035 |
Click to see
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
|
424.80 |
unknown |
https://doi.org/10.1515/ZNB-1968-0411 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(E)-5-[(1S,4aR,6R,8aR)-6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
162902973 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)OC(=O)C)C
|
362.50 |
unknown |
https://doi.org/10.1016/0040-4020(77)80445-6 |
(E)-5-[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
162916164 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
132586939 |
Click to see
CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O
|
452.60 |
unknown |
https://doi.org/10.1021/NP100694K |
[6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
72727946 |
Click to see
CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O
|
452.60 |
unknown |
https://doi.org/10.1021/NP100694K |
1,4a-dimethyl-6-methylidene-5-(3-methyl-4-oxobut-2-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
75054962 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=O
|
304.40 |
unknown |
https://doi.org/10.1021/NP100694K |
12alpha-Hydroxy-8,15-isopimaradien-18-oic acid
|
51040469 |
Click to see
CC12CCCC(C1CCC3=C2CC(C(C3)(C)C=C)O)(C)C(=O)O
|
318.40 |
unknown |
https://doi.org/10.1021/NP100694K |
12S,13R-dihydroxylabda-8(17),14-dien-19-oic acid
|
70698244 |
Click to see
CC12CCCC(C1CCC(=C)C2CC(C(C)(C=C)O)O)(C)C(=O)O
|
336.50 |
unknown |
https://doi.org/10.1021/NP100694K |
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
|
44592589 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)C=O
|
304.40 |
unknown |
https://doi.org/10.1021/NP100694K |
3-Acetoxy-8(17),13E-labdadien-15-oic acid
|
13858192 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)OC(=O)C)C
|
362.50 |
unknown |
https://doi.org/10.1021/NP100694K https://doi.org/10.1016/0040-4020(77)80445-6 |
5-(2,3-dihydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
23844044 |
Click to see
CC12CCCC(C1CCC(=C)C2CC(C(C)(C=C)O)O)(C)C(=O)O
|
336.50 |
unknown |
https://doi.org/10.1021/NP100694K |
5-(6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
|
73188493 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)OC(=O)C)C
|
362.50 |
unknown |
https://doi.org/10.1021/NP100694K https://doi.org/10.1016/0040-4020(77)80445-6 |
5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
|
73188492 |
Click to see
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
7-Ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid
|
56667465 |
Click to see
CC1(CCC2C3(CCCC(C3CCC2(C1)O)(C)C(=O)O)C)C=C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
8alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
|
14138895 |
Click to see
CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O
|
452.60 |
unknown |
https://doi.org/10.1021/NP100694K |
8alpha-Hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate
|
70698257 |
Click to see
CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)COC(=O)C=CC3=CC=C(C=C3)O
|
452.60 |
unknown |
https://doi.org/10.1021/NP100694K |
methyl 1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
535072 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)C=C
|
316.50 |
unknown |
https://doi.org/10.1016/0040-4020(77)80445-6 |
Methyl trans-communate
|
11141639 |
Click to see
CC(=CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)C=C
|
316.50 |
unknown |
https://doi.org/10.1016/0040-4020(77)80445-6 |
Toonaciliatin M
|
42639333 |
Click to see
CC1(CCC2C3(CCCC(C3CCC2(C1)O)(C)C(=O)O)C)C=C
|
320.50 |
unknown |
https://doi.org/10.1021/NP100694K |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
Linalool, (-)-
|
443158 |
Click to see
CC(=CCCC(C)(C=C)O)C
|
154.25 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
(-)-3-Carene
|
442461 |
Click to see
CC1=CCC2C(C1)C2(C)C
|
136.23 |
unknown |
via CMAUP database |
(1R)-endo-(+)-Fenchyl alcohol
|
6997371 |
Click to see
CC1(C2CCC(C2)(C1O)C)C
|
154.25 |
unknown |
via CMAUP database |
(R)-Fenchone; L-(-)-Fenchone; L-Fenchone; l-Fenchone
|
2794921 |
Click to see
CC1(C2CCC(C2)(C1=O)C)C
|
152.23 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(R)-beta-bisabolene
|
68128 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
via CMAUP database |
1,4a-dimethyl-6-methylidene-5-(3-oxobut-1-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
124222307 |
Click to see
CC(=O)C=CC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C
|
290.40 |
unknown |
https://doi.org/10.1021/NP100694K |
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid
|
10085628 |
Click to see
CC(=O)C=CC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C
|
290.40 |
unknown |
https://doi.org/10.1021/NP100694K |
Beta-Bisabolene
|
10104370 |
Click to see
CC1=CCC(CC1)C(=C)CCC=C(C)C
|
204.35 |
unknown |
via CMAUP database |
Caryophyllene
|
5281515 |
Click to see
CC1=CCCC(=C)C2CC(C2CC1)(C)C
|
204.35 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
|
(-)-5-Epieremophilene
|
52319950 |
Click to see
CC1CCC=C2C1(CC(CC2)C(=C)C)C
|
204.35 |
unknown |
via CMAUP database |
(4Ar,5R,6S,8aR)-3-acetyl-6-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
|
10354107 |
Click to see
CC1C(CCC2C1(C=C(C(=O)C2)C(=O)C)C)O
|
236.31 |
unknown |
via CMAUP database |
(4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-4-one
|
10889785 |
Click to see
CC1CCCC2C1(C(=O)C3=C(C2)OC=C3C)C
|
232.32 |
unknown |
via CMAUP database |
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-ol
|
383983 |
Click to see
CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C
|
234.33 |
unknown |
via CMAUP database |
(4S,4aR,5S,8aR)-4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
|
5320501 |
Click to see
CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C
|
248.36 |
unknown |
via CMAUP database |
(4S,4aR,6R,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone
|
101306823 |
Click to see
CC1CCC(=O)C2C1(CC(CC2)C(=C)C)C
|
220.35 |
unknown |
via CMAUP database |
(4S,4aS,5R,6S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4,6-diol
|
21602832 |
Click to see
CC1C(CCC2C1(C(C3=C(C2)OC=C3C)O)C)O
|
250.33 |
unknown |
via CMAUP database |
(R)-2-(2-Oxo-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-3-yl)propanoic acid
|
122402090 |
Click to see
CC1CCCC2C1(C=C(C(=O)C2)C(C)C(=O)O)C
|
250.33 |
unknown |
via CMAUP database |
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
|
12314124 |
Click to see
CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C
|
316.40 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR)-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
21602833 |
Click to see
CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC=C2C
|
432.60 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR)-4-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
101596878 |
Click to see
CC=C(C)C(=O)OC1CCC2CC3=C(C(C2(C1C)C)O)C(=CO3)C
|
332.40 |
unknown |
via CMAUP database |
2beta-Hydrocyfukinone
|
102208390 |
Click to see
CC1CC(CC2C1(CC(=C(C)C)C(=O)C2)C)O
|
236.35 |
unknown |
via CMAUP database |
3-Acetyl-4abeta,5beta-dimethyl-1,2,4a,5,6,7,8,8abeta-octahydronaphthalene-2-one
|
10846585 |
Click to see
CC1CCCC2C1(C=C(C(=O)C2)C(=O)C)C
|
220.31 |
unknown |
via CMAUP database |
Albopetasin
|
5317196 |
Click to see
CC=C(C)C(=O)OC1C2=C(CC3C1(C(CCC3)C)C)OC=C2C
|
316.40 |
unknown |
via CMAUP database |
Fukinone
|
5317414 |
Click to see
CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
|
220.35 |
unknown |
via CMAUP database |
Furanoeremophilane
|
101277374 |
Click to see
CC1CCCC2C1(CC3=C(C2)OC=C3C)C
|
218.33 |
unknown |
via CMAUP database |
Furanojaponin
|
5317429 |
Click to see
CC=C(C)C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C
|
316.40 |
unknown |
via CMAUP database |
Isopetasin
|
5318627 |
Click to see
CC=C(C)C(=O)OC1CCC2=CC(=O)C(=C(C)C)CC2(C1C)C
|
316.40 |
unknown |
via CMAUP database |
methyl 2-[(4aR,7S,8R,8aR)-7-hydroxy-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]prop-2-enoate
|
21602836 |
Click to see
CC1C(CCC2C1(C=C(C(=O)C2)C(=C)C(=O)OC)C)O
|
278.34 |
unknown |
via CMAUP database |
Neopetasin
|
6440434 |
Click to see
CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C
|
316.40 |
unknown |
via CMAUP database |
Petasin
|
5281526 |
Click to see
CC=C(C)C(=O)OC1CCC2=CC(=O)C(CC2(C1C)C)C(=C)C
|
316.40 |
unknown |
via CMAUP database |
Petasitolone
|
5320506 |
Click to see
CC1CCCC2C1(C=C(C(=O)C2)C(C)(C)O)C
|
236.35 |
unknown |
via CMAUP database |
S-Japonin
|
101316797 |
Click to see
CC1CC(CC2C1(CC(=C(C)C)C(=O)C2)C)OC(=O)C=CSC
|
336.50 |
unknown |
via CMAUP database |
S-Neopetasin
|
91800184 |
Click to see
CC1C(CCC2=CC(=O)C(CC12C)C(=C)C)OC(=O)C=CSC
|
334.50 |
unknown |
via CMAUP database |
S-Petasin
|
16219858 |
Click to see
CC1C(CCC2=CC(=O)C(CC12C)C(=C)C)OC(=O)C=CSC
|
334.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
101921682 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
|
797.00 |
unknown |
via CMAUP database |
Niga-ichigoside F1
|
16118969 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
|
666.80 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
(3R)-1',3',3'a,4,4',5,5',6',7',7'aalpha-Decahydro-3'abeta,4'beta-dimethyl-4-methylenespiro[furan-3(2H),2'-[2H]indene]-2-one
|
10868244 |
Click to see
CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C
|
234.33 |
unknown |
via CMAUP database |
(4aR,5S,7R,8aR,9aS)-7-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
101999270 |
Click to see
CC1CC(CC2C1(CC3=C(C(=O)OC3C2)C)C)O
|
250.33 |
unknown |
via CMAUP database |
(4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-2,6-dione
|
10683027 |
Click to see
CC1C(=O)CCC2C1(CC3=C(C(=O)OC3(C2)O)C)C
|
264.32 |
unknown |
via CMAUP database |
(4aS,9aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethyl-6beta-hydroxynaphtho[2,3-b]furan-2(9aH)-one
|
15226439 |
Click to see
CC1C(CCC2C1(CC3=C(C(=O)OC3C2)C)C)O
|
250.33 |
unknown |
via CMAUP database |
(4S,4aR,5S,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-4-hydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
|
101033348 |
Click to see
CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C
|
280.36 |
unknown |
via CMAUP database |
(4S,4aS,5R,6S,8aR,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,4a,5-trimethyl-6-[[(2E)-3-[(R)-methylsulfinyl]-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate
|
10837859 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)OC(=O)C=CS(=O)C)C)C)C
|
464.60 |
unknown |
via CMAUP database |
(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
10107719 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O
|
280.36 |
unknown |
via CMAUP database |
(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
10018278 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)O
|
310.40 |
unknown |
via CMAUP database |
(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9aalpha-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one
|
101033349 |
Click to see
CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C
|
280.36 |
unknown |
via CMAUP database |
(Z)-2-Methyl-2-butenoic acid (S)-(3beta-hydroxy-1beta,2beta-dimethyl-6-oxocyclohexyl)[[(R)-2,5-dihydro-5-hydroxy-4-methyl-2-oxofuran]-3-yl]methyl ester
|
101993910 |
Click to see
CC=C(C)C(=O)OC(C1=C(C(OC1=O)O)C)C2(C(C(CCC2=O)O)C)C
|
366.40 |
unknown |
via CMAUP database |
[(1R,2R,3aR,4S,7aS)-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] acetate
|
5320805 |
Click to see
CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C
|
292.40 |
unknown |
via CMAUP database |
[(4R)-3,4abeta,5beta-Trimethyl-4alpha-methoxy-6beta-hydroxy-4a,5,6,7,8,8abeta,9,9aalpha-octahydronaphtho[2,3-b]furan]-2(4H)-one
|
10493014 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O
|
280.36 |
unknown |
via CMAUP database |
[(4S,4aR,5R,6S,8aS,9R,9aR)-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
10523815 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(C(C3C1(C(C(CC3)O)C)C)O)O)C
|
380.40 |
unknown |
via CMAUP database |
[(4S,4aR,5R,6S,8aS,9R,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
10784989 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2C(C3C1(C(C(CC3)O)C)C)O)C
|
364.40 |
unknown |
via CMAUP database |
[(4S,4aR,5R,6S,8aS,9S,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
10832600 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2C(C3C1(C(C(CC3)O)C)C)O)C
|
364.40 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aR)-3,4a,5-trimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
10455374 |
Click to see
CC=C(C)C(=O)OC1CCC2CC3C(=C(C(=O)O3)C)C(C2(C1C)C)OC(=O)C(=CC)C
|
430.50 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate
|
15381664 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)OC(=O)C=CSC
|
410.50 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
|
10043345 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)O)C)C)C
|
348.40 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101942890 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)O)C)C)OC)C
|
378.50 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aR)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101942891 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC)C
|
478.60 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aS)-6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101942892 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)O)C)C)OC)C
|
378.50 |
unknown |
via CMAUP database |
[(4S,4aS,5R,6S,8aR,9aS)-9a-methoxy-3,4a,5-trimethyl-6-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101942893 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(CC3)OC(=O)C=CSC)C)C)OC)C
|
478.60 |
unknown |
via CMAUP database |
[(4S,4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxo-4,5,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
10428722 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2(CC3C1(C(C(=O)CC3)C)C)O)C
|
362.40 |
unknown |
via CMAUP database |
[(4S)-3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta-hydroxy-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan]-2(4H)-one
|
10516878 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O
|
280.36 |
unknown |
via CMAUP database |
[(S)-[(2S)-2-hydroxy-3-methyl-5-oxo-2H-furan-4-yl]-[(1S,3S,4R,5R,6R)-3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]methyl] (Z)-2-methylbut-2-enoate
|
101995462 |
Click to see
CC=C(C)C(=O)OC(C1=C(C(OC1=O)O)C)C2(C(C3CCC2C(O3)OC)C)C
|
394.50 |
unknown |
via CMAUP database |
2-Methylisocrotonic acid [(4S)-6beta-hydroxy-3,4abeta,5beta-trimethyl-2-oxo-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester
|
10089111 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(=O)OC2CC3C1(C(C(CC3)O)C)C)C
|
348.40 |
unknown |
via CMAUP database |
3,4abeta,5beta-Trimethyl-4beta-methoxy-6beta,9aalpha-dihydroxy-4a,5,6,7,8,8abeta,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
|
10780264 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)O)C)OC)C)O
|
296.36 |
unknown |
via CMAUP database |
6beta-Hydroxyeremophilenolide
|
14866157 |
Click to see
CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
|
250.33 |
unknown |
via CMAUP database |
6beta,8beta-Dihydroxyeremophilenolide
|
181196 |
Click to see
CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)O)C)O)C
|
266.33 |
unknown |
via CMAUP database |
Bakkenolide A
|
442173 |
Click to see
CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C
|
234.33 |
unknown |
via CMAUP database |
Bakkenolide B
|
11165211 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C
|
390.50 |
unknown |
via CMAUP database |
Bakkenolide D
|
12299954 |
Click to see
CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CSC
|
408.50 |
unknown |
via CMAUP database |
BakkenolideIII
|
10849385 |
Click to see
CC1CCC(C2C1(CC3(C2O)C(=C)COC3=O)C)O
|
266.33 |
unknown |
via CMAUP database |
Dihydrofukinolide
|
101306810 |
Click to see
CCC(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C
|
392.50 |
unknown |
via CMAUP database |
Eremophilenolide
|
442210 |
Click to see
CC1CCCC2C1(CC3=C(C(=O)OC3C2)C)C
|
234.33 |
unknown |
via CMAUP database |
Homofukinolide
|
101297666 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C(=CC)C)C)C
|
430.50 |
unknown |
via CMAUP database |
Petasilide
|
101289733 |
Click to see
CC=C(C)C(=O)OC1CCC(C2(C1C(C3(C2)C(=C)COC3=O)OC(=O)C)C)C
|
390.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids
|
(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
134781708 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C3C=C4C(CC(CC4(O3)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes
|
all-trans-alpha-Carotene
|
4369188 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
alpha-Carotene
|
6419725 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Beta-Carotene
|
5280489 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
gamma-Carotene
|
5280791 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Lycopene
|
446925 |
Click to see
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
|
536.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
134737870 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C
|
584.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
101526841 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Antheraxanthin
|
5281223 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C
|
584.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Astaxanthin
|
5281224 |
Click to see
CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
|
596.80 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Canthaxanthin
|
5281227 |
Click to see
CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
|
564.80 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Citroxanthin
|
5281246 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Cryptoxanthin
|
5281235 |
Click to see
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Lutein
|
5281243 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Lutein 5,6-epoxide
|
5281244 |
Click to see
CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O
|
584.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Mutatoxanthin
|
5376325 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C
|
584.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Phoenicoxanthin
|
16061231 |
Click to see
CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
|
580.80 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Rhodoxanthin
|
5281251 |
Click to see
CC1=CC(=O)CC(C1=CC=C(C)C=CC=C(C)C=CC=CC(=CC=CC(=CC=C2C(=CC(=O)CC2(C)C)C)C)C)(C)C
|
562.80 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Violaxanthin
|
448438 |
Click to see
CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C
|
600.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Zeaxanthin
|
5280899 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
|
568.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
Zeinoxanthin
|
5281234 |
Click to see
CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C
|
552.90 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Metaseglyptorin A
|
51040263 |
Click to see
CCC(CCC(C)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(C)(C)O)C)C)C(=C)C
|
486.80 |
unknown |
https://doi.org/10.1021/NP100694K |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
|
[(3R)-non-1-en-3-yl] acetate
|
92281382 |
Click to see
CCCCCCC(C=C)OC(=O)C
|
184.27 |
unknown |
via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
|
(-)-Rel-acora-2,4(14),8-trien-15-oic acid
|
51040470 |
Click to see
CC(C)C1C=CC(=C)C12CCC(=CC2)C(=O)O
|
232.32 |
unknown |
https://doi.org/10.1021/NP100694K |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
3,4-Di-O-caffeoylquinic acid methyl ester
|
10392218 |
Click to see
COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
|
530.50 |
unknown |
via CMAUP database |
4,5-Dicaffeoylquinic acid
|
5281780 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
|
516.40 |
unknown |
via CMAUP database |
Chlorogenic Acid
|
1794427 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
354.31 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
(3aR,4S,7aR)-2-acetyl-3a,4-dimethyl-4,6,7,7a-tetrahydro-1H-inden-5-one
|
10512475 |
Click to see
CC1C(=O)CCC2C1(C=C(C2)C(=O)C)C
|
206.28 |
unknown |
via CMAUP database |
Eremopetasinorone A
|
10584415 |
Click to see
CC1C(=O)CCC2C1(C=C(C2)C(=O)C)C
|
206.28 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
(4aR,8S,8aR)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde
|
10703491 |
Click to see
CC1CCCC2C1(C=C(C(=O)C2)C=O)C
|
206.28 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
Petasiphenone
|
16066851 |
Click to see
C1=CC(=C(C=C1C=CC(=O)OCC(=O)C2=CC(=C(C=C2)O)O)O)O
|
330.29 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
|
2-Methoxy-1-propanol
|
14846 |
Click to see
CC(CO)OC
|
90.12 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
> Organoheterocyclic compounds / Azaspirodecane derivatives
|
(1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
|
7566707 |
Click to see
CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C
|
381.40 |
unknown |
via CMAUP database |
Petasitenine
|
5281741 |
Click to see
CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C
|
381.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
|
CID 162977223
|
162977223 |
Click to see
CC1CC2(C(CC(C3(C2=C)CO3)OC(=O)C)C(=O)C14CC(OC4=O)C5=COC=C5)O
|
416.40 |
unknown |
https://doi.org/10.1016/0305-1978(87)90003-2 |
> Organoheterocyclic compounds / Naphthofurans
|
(1R,2S,3S,4R,5S,8R,10R,13R)-5-hydroxy-2-methoxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
|
102210185 |
Click to see
CC1C(CCC2C1(C(C34C(C(=O)OC3(C2)O4)C)OC)C)O
|
296.36 |
unknown |
via CMAUP database |
(2S,4S,4aS,5R,6S,8aR,9aR)-2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-ol
|
15381666 |
Click to see
CC1C(CCC2C1(C(C3=C(C(OC3(C2)OC)OC)C)OC)C)O
|
326.40 |
unknown |
via CMAUP database |
[(1S,2S,3S,4R,5S,8R,10S,13S)-5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (Z)-2-methylbut-2-enoate
|
102065429 |
Click to see
CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)O)C)C
|
364.40 |
unknown |
via CMAUP database |
[(2S,4S,4aS,5R,6S,8aR,9aS)-6-hydroxy-2,9a-dimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
|
101942895 |
Click to see
CC=C(C)C(=O)OC1C2=C(C(OC2(CC3C1(C(C(CC3)O)C)C)OC)OC)C
|
394.50 |
unknown |
via CMAUP database |
2-Butenoic acid, 2-methyl-, (3S,3aS,4S,4aS,5R,6S,8aR,9aS)-decahydro-3,4a,5-trimethyl-6-[[(2Z)-3-(methylthio)-1-oxo-2-propenyl]oxy]-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, (2Z)-
|
102065430 |
Click to see
CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)OC(=O)C=CSC)C)C
|
464.60 |
unknown |
via CMAUP database |
2-Butenoic acid, 2-methyl-, decahydro-6-hydroxy-3,4a,5-trimethyl-2-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, [3R-[3alpha,3aalpha,4beta(Z),4abeta,5beta,6beta,8abeta,9aalpha]]-
|
102065427 |
Click to see
CC=C(C)C(=O)OC1C2(C(C(CCC2CC34C1(O3)C(C(=O)O4)C)O)C)C
|
364.40 |
unknown |
via CMAUP database |
2-Propenoic acid, 3-(methylthio)-, (3R,3aR,4S,4aS,5R,6S,8aR,9aR)-decahydro-4-methoxy-3,4a,5-trimethyl-1-oxo-3a,9a-epoxynaphtho[2,3-b]furan-6-yl ester, (2Z)-
|
102065428 |
Click to see
CC1C(CCC2C1(C(C34C(C(=O)OC3(C2)O4)C)OC)C)OC(=O)C=CSC
|
396.50 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Oxanes
|
Epoxyeremopetasinorol
|
15275909 |
Click to see
CC1C(CCC2C1(C3C(C2)(O3)C(=O)C)C)O
|
224.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Piperidines
|
Araguspongine a
|
10939521 |
Click to see
C1CCCC2CCN3CCCC(C3O2)(CCCCCCC4CCN5CCCC(C5O4)CC1)O
|
462.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
> Organoheterocyclic compounds / Pyrrolizidines
|
Petasinine
|
6440436 |
Click to see
CC=C(C)C(=O)OC1CN2CCCC2C1CO
|
239.31 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
(2R,3R)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
|
101249839 |
Click to see
C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
Fukinolic acid
|
6441059 |
Click to see
C1=CC(=C(C=C1CC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
Petasiphenol
|
6438779 |
Click to see
C1=CC(=C(C=C1CC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
|
344.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
Caffeic Acid
|
689043 |
Click to see
C1=CC(=C(C=C1C=CC(=O)O)O)O
|
180.16 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
5,7-dihydroxy-8-[5-[(2R)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
|
154827991 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
|
582.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
|
102115498 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)O)O)O
|
568.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
|
162986189 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5CC(=O)C6=C(C=C(C=C6O5)O)O)O
|
568.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
Amentoflavone
|
5281600 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
|
538.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
Ginkgetin
|
5271805 |
Click to see
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
|
566.50 |
unknown |
https://doi.org/10.1016/0040-4020(77)80445-6 |
Sciadopitysin
|
5281696 |
Click to see
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
|
580.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
Sotetsuflavone
|
5494868 |
Click to see
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
|
552.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
|
Gallocatechin
|
65084 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
|
306.27 |
unknown |
https://doi.org/10.1002/J.1537-2197.1986.TB10906.X |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
2,3-Dihydrohinokiflavone
|
71437113 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
|
540.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
6-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
124511471 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
|
540.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Hinokiflavone
|
5281627 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
|
538.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Quercetin
|
5280343 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
|
302.23 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
Isoquercetin
|
5280804 |
Click to see
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
464.40 |
unknown |
via CMAUP database |
Quercetin 3-O-(6''-acetyl-glucoside)
|
10006384 |
Click to see
CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
506.40 |
unknown |
via CMAUP database |
Quercitrin
|
5280459 |
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)O
|
448.40 |
unknown |
https://doi.org/10.2978/JSAS.8.51 |
Rutin
|
5280805 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
|
610.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Isocryptomerin
|
5318537 |
Click to see
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O
|
552.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89893-3 |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Cinnamylphenols
|
4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol
|
132586940 |
Click to see
CC1(OCC(O1)C(C=CC2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)OC)C
|
356.40 |
unknown |
https://doi.org/10.1021/NP100694K |
4-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol
|
132587057 |
Click to see
CC1(OCC(O1)C(C=CC2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
|
326.40 |
unknown |
https://doi.org/10.1021/NP100694K |
Agatharesinol acetonide
|
70698227 |
Click to see
CC1(OCC(O1)C(C=CC2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
|
326.40 |
unknown |
https://doi.org/10.1021/NP100694K |
Sequosempervirin D
|
70698242 |
Click to see
CC1(OCC(O1)C(C=CC2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)OC)C
|
356.40 |
unknown |
https://doi.org/10.1021/NP100694K |
> Phenylpropanoids and polyketides / Macrolides and analogues
|
Senkirkine
|
5281752 |
Click to see
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C
|
365.40 |
unknown |
via CMAUP database |