> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
1,2-Dimethoxybenzene
|
7043 |
Click to see
COC1=CC=CC=C1OC
|
138.16 |
unknown |
via CMAUP database |
> 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 |
> 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 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 / Prenol lipids / Diterpenoids
|
6-Hydroxy-1,1,4A-trimethyl-7-(propan-2-YL)-1,2,3,4,4A,9,10,10A-octahydrophenanthren-9-one
|
275529 |
Click to see
CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
|
300.40 |
unknown |
https://doi.org/10.1016/S0928-3420(99)80023-8 |
> 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 |
> 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 |
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 |
(3S)-3-Isopropenyl-4abeta,5beta-dimethyl-6alpha-(2-methylcrotonoyloxy)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2-one
|
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 |
(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 |
(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 |
(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 |
[(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 |
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 |
3beta-Angeloyloxy-6beta-hydroxyfuranoeremophilane
|
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 |
4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethyl-4beta-methoxynaphtho[2,3-b]furan
|
5320501 |
Click to see
CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C
|
248.36 |
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 |
Furanofukinol
|
21602832 |
Click to see
CC1C(CCC2C1(C(C3=C(C2)OC=C3C)O)C)O
|
250.33 |
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 |
Ligularol
|
383983 |
Click to see
CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C
|
234.33 |
unknown |
via CMAUP database |
Ligularone
|
10889785 |
Click to see
CC1CCCC2C1(C(=O)C3=C(C2)OC=C3C)C
|
232.32 |
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,4R,5S,6S)-6-[[(3R,4aR,6aR,6bR,8R,8aR,9S,10S,12aR,14aR,14bR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
163046653 |
Click to see
CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2R,3R,4R,5S,6S)-6-[[(3R,4aS,6aS,6bR,8R,8aR,12aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
162846223 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O
|
1119.20 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2R,3S,4R,5R,6R)-6-[[(3R,4aR,6aR,6bR,8S,8aR,9S,10R,12aR,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
162883177 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
162883178 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
162883179 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
163046652 |
Click to see
CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-8a-(hydroxymethyl)-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]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
101032524 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(C9O)O)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O)O
|
1137.30 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
162846224 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O
|
1119.20 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,4S)-6-[[(4aR,6bS,8R,14aR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
5315185 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O
|
1119.20 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,4S)-6-[[(4aR,6bS,8R,9R,14aR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
5315171 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(2S,4S)-6-[[(4aR,6bS,8R,9R,14aR)-8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
5315178 |
Click to see
CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one
|
102438571 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)OC4C(C(C(OC4OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)CO)O)O)CO)O)CO)O)O)O)O)O
|
1105.30 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl (E)-2-methylbut-2-enoate
|
102438570 |
Click to see
CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C
|
1205.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (E)-2-methylbut-2-enoate
|
102438569 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)CO)O
|
1205.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
4-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-oxo-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
78384579 |
Click to see
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CC=C8C7(CC(C9(C8CC(C(=O)C9)(C)C)CO)O)C)C)C)C(=O)O)O)CO)O)O)O)O
|
1119.20 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-[[8,9,10-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(2-methylbut-2-enoyloxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
78384578 |
Click to see
CC=C(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
6-[[8,9-Dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
78384575 |
Click to see
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O
|
1219.40 |
unknown |
https://doi.org/10.1016/S0031-9422(97)00850-9 |
Mussaendoside R
|
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 |
(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,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)-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 |
(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9abeta-methoxy-3,4abeta,5beta-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)-6beta-Hydroxy-4beta-methoxy-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9aalpha-octahydronaphtho[2,3-b]furan-2(4H)-one
|
10107719 |
Click to see
CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O
|
280.36 |
unknown |
via CMAUP database |
(4S)-6beta-Hydroxy-4beta,9aalpha-dimethoxy-3,4abeta,5beta-trimethyl-4a,5,6,7,8,8abeta,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-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 |
(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 |
(Z)-2-Methyl-2-butenoic acid (S)-[(1S,3S,4R,5R,6R)-3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]oct-5-yl][[(S)-2,5-dihydro-5-hydroxy-4-methyl-2-oxofuran]-3-yl]methyl ester
|
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 |
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9alpha-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester
|
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 |
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta-dihydroxy-2,4,4a,5,6,7,8,8abeta,9,9aalpha-decahydronaphtho[2,3-b]furan]-4beta-yl ester
|
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 |
(Z)-2-Methyl-2-butenoic acid [(4S)-2-oxo-3,4abeta,5beta-trimethyl-6beta,9beta,9abeta-trihydroxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester
|
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 |
[(4aS)-3,4abeta,5beta-Trimethyl-9abeta-hydroxy-4a,7,8,8abeta,9,9a-hexahydronaphtho[2,3-b]furan]-2,6(4H,5H)-dione
|
10683027 |
Click to see
CC1C(=O)CCC2C1(CC3=C(C(=O)OC3(C2)O)C)C
|
264.32 |
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,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-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)-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 |
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4,6-diyl ester, [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-
|
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 |
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6-hydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4alpha(E),4aalpha,5alpha,6alpha,8aalpha,9abeta]]-
|
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 |
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4alpha(Z),4aalpha,5alpha,8aalpha,9aalpha]]-
|
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 |
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 |
3,4abeta,5beta-Trimethyl-7beta-hydroxy-4a,5,6,7,8,8abeta,9,9abeta-octahydronaphtho[2,3-b]furan-2(4H)-one
|
101999270 |
Click to see
CC1CC(CC2C1(CC3=C(C(=O)OC3C2)C)C)O
|
250.33 |
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 |
9-Acetoxyfukinanolide
|
5320805 |
Click to see
CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C
|
292.40 |
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 |
BakkenolideIII
|
10849385 |
Click to see
CC1CCC(C2C1(CC3(C2O)C(=C)COC3=O)C)O
|
266.33 |
unknown |
via CMAUP database |
CID 12299954
|
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 |
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 |
Fukinolide
|
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 |
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 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Bemeuxin
|
6454841 |
Click to see
CC1(CC2C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)C)C
|
488.70 |
unknown |
via CMAUP database |
> 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 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
|
3,4,4aalpha,5,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-3-oxonaphthalene-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
|
1-(2,6-Dihydroxy-4-methoxyphenyl)butan-1-one
|
597630 |
Click to see
CCCC(=O)C1=C(C=C(C=C1O)OC)O
|
210.23 |
unknown |
via CMAUP database |
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 |
> 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 / 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)-2alpha,4beta,9aalpha-Trimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-6beta-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 |
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-Methylisocrotonic acid [(2S)-6beta-hydroxy-2alpha,9abeta-dimethoxy-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan]-4beta-yl ester
|
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-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 / 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-Dihydroxybenzyl)-2-hydroxy-3-(3,4-dihydroxy-trans-cinnamoyloxy)succinic 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 |
3-(3,4-Dihydroxyphenyl)-2-oxopropyl caffeate
|
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 |
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 |
> 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 / Flavans / Catechins
|
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1016/S0928-3420(99)80023-8 |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1016/S0928-3420(99)80023-8 |
> 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 |
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 / 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 |