> Alkaloids and derivatives / Aporphines
|
N-acetylanonaine
|
6453733 |
Click to see
CC(=O)N1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
|
307.30 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Benzophenanthridine alkaloids / Secobenzophenanthridine alkaloids
|
Formamide, N-(6-(2-hydroxy-3,4-dimethoxyphenyl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
|
3085181 |
Click to see
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=C(C(=C(C=C4)OC)OC)O
|
381.40 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Lupin alkaloids / Anagyrine-type alkaloids
|
(1R,9R,10S,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
101622983 |
Click to see
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
|
260.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
(1S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
131676079 |
Click to see
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
|
260.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
12-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
621307 |
Click to see
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
|
260.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
Anagyrine
|
5351589 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
CID 10246
|
10246 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
Thermopsine
|
92768 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
Thermospine
|
638234 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
> Alkaloids and derivatives / Lupin alkaloids / Cytisine and derivatives
|
(-)-Cytisine
|
22407 |
Click to see
C1C2CNCC1C3=CC=CC(=O)N3C2
|
190.24 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 https://doi.org/10.1016/0031-9422(82)80178-7 |
(1R,5S)-3-(3-Oxo-butyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
|
44398032 |
Click to see
CC(=O)CCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
260.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
(1R,5S)-3-Ethyl-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
|
16637612 |
Click to see
CCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
218.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 https://doi.org/10.1016/0031-9422(82)80178-7 |
(1R,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
1747617 |
Click to see
CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
204.27 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
(1S,5R)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
|
6713952 |
Click to see
C1C2CNCC1C3=CC=CC(=O)N3C2
|
190.24 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
(1S,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
7067420 |
Click to see
C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetic acid
|
14274650 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)CC(=O)O
|
248.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, (1R)-
|
92344070 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)CC(=O)O
|
248.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetic acid, 1,5,6,8-tetrahydro-8-oxo-, ethyl ester, (1R)-
|
1801368 |
Click to see
CCOC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
276.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
11-(3-Oxobutyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
56674705 |
Click to see
CC(=O)CCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
260.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
11-Ethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
73291538 |
Click to see
CCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
218.29 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 https://doi.org/10.1016/0031-9422(82)80178-7 |
Caulophylline
|
670971 |
Click to see
CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
204.27 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
Cytisine, N-formyl-
|
589870 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)C=O
|
218.25 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
Cytisinicline
|
10235 |
Click to see
C1C2CNCC1C3=CC=CC(=O)N3C2
|
190.24 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 https://doi.org/10.1016/0031-9422(82)80178-7 |
ethyl [(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetate
|
1801364 |
Click to see
CCOC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
276.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
Ethyl 2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetate
|
3482912 |
Click to see
CCOC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
276.33 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
Methyl (1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-acetate
|
6351768 |
Click to see
COC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
methyl (8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetate
|
4678523 |
Click to see
COC(=O)CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
N-Formylcytisine
|
179619 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)C=O
|
218.25 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 https://doi.org/10.1016/0031-9422(82)85211-4 |
N-Methylcytisine
|
234566 |
Click to see
CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
204.27 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
> Alkaloids and derivatives / Lupin alkaloids / Sparteine, lupanine, and related alkaloids
|
(1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
|
51018075 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
(1R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
|
163185252 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
5,6-Dehydrolupanine
|
520559 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-
|
14379237 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
alpha-Isolupanine
|
119201 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 https://doi.org/10.1016/S0031-9422(00)80699-8 |
Hydrorhombinine
|
7018997 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/S0031-9422(00)80699-8 |
Lupanine
|
91471 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)85211-4 |
> Benzenoids / Phenol ethers / Anisoles
|
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Palmitic Acid
|
985 |
Click to see
CCCCCCCCCCCCCCCC(=O)O
|
256.42 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Hexacosanol
|
68171 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCO
|
382.70 |
unknown |
https://doi.org/10.1007/BF02855623 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
(2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
|
14135316 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
|
289.40 |
unknown |
via CMAUP database |
(2E,4E,8Z,11E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
|
14135320 |
Click to see
CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O
|
291.40 |
unknown |
via CMAUP database |
(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
|
14135319 |
Click to see
CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O
|
291.40 |
unknown |
via CMAUP database |
(2E,6R,7E,9E)-6-Hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide
|
101357058 |
Click to see
CC(=O)C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O
|
295.37 |
unknown |
via CMAUP database |
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
|
46870578 |
Click to see
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
|
263.37 |
unknown |
via CMAUP database |
Hydroxy-alpha-sanshool
|
10084135 |
Click to see
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
|
263.37 |
unknown |
via CMAUP database |
Hydroxy-Beta-Sanshool
|
10220912 |
Click to see
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
|
263.37 |
unknown |
via CMAUP database |
Hydroxy-gamma-Sanshool
|
14135317 |
Click to see
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
|
289.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
|
(+)-Linalyl acetate
|
6999980 |
Click to see
CC(=CCCC(C)(C=C)OC(=O)C)C
|
196.29 |
unknown |
via CMAUP database |
Linalool, (+)-
|
67179 |
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
|
4-Isopropylbenzyl alcohol
|
325 |
Click to see
CC(C)C1=CC=C(C=C1)CO
|
150.22 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(-)-Terpinen-4-ol
|
5325830 |
Click to see
CC1=CCC(CC1)(C(C)C)O
|
154.25 |
unknown |
via CMAUP database |
(+)-alpha-Terpineol
|
442501 |
Click to see
CC1=CCC(CC1)C(C)(C)O
|
154.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides
|
10-Acetoxyoleuropein
|
131751685 |
Click to see
CC(=O)OCC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O
|
598.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins
|
(2R,3R,4R,5S,6R)-6-[[(3R,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(2S,3S,4R,5R)-4,5-dihydroxy-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
154497481 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
1237.40 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-10-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
163014898 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
1061.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aR,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
162975539 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
943.10 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(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-3,4-dihydroxyoxane-2-carboxylic acid
|
20056309 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
1237.40 |
unknown |
https://doi.org/10.1002/CHIN.200451152 https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
21607812 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
943.10 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-10-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
11216985 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
1077.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11R,12aS,14aR,14bR)-9,10-dihydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
101620737 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
945.10 |
unknown |
https://doi.org/10.1002/CHIN.200451152 https://doi.org/10.1248/CPB.52.870 |
(3beta,4beta,21beta,22beta)-22-(alpha-L-Arabinopyranosyloxy)-21,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosiduronic acid
|
10011415 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
1091.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
5-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[10-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
|
72973796 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
1061.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
5-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[10-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid
|
72755360 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
1077.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[[9-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
|
21864138 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
1237.40 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
6-[[9-Acetyloxy-10-hydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
85419707 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC(=O)C)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
987.10 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
Acetyl subproside II
|
11158973 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC(=O)C)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
987.10 |
unknown |
https://doi.org/10.1248/CPB.52.870 https://doi.org/10.1002/CHIN.200451152 |
CID 5087640
|
5087640 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
943.10 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
Echinosophoroside B
|
11468851 |
Click to see
CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)CO)C)C)C)C)C(=O)O)O)O)O)O)O)O)O
|
1061.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 https://doi.org/10.1002/CHIN.200451152 |
Kudzusaponin SA3
|
85092198 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8OC9C(C(C(CO9)O)O)O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
|
1091.20 |
unknown |
https://doi.org/10.1248/CPB.52.870 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
|
9476 |
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 / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
2-(Hydroxymethyl)-6-[(5-hydroxy-8-prop-1-en-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]oxane-3,4,5-triol
|
73075393 |
Click to see
CC(=C)C1CC2=C(C=CC(=C12)OC3C(C(C(C(O3)CO)O)O)O)O
|
338.40 |
unknown |
https://doi.org/10.1007/BF02855623 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
|
(R-(E))-5-Isopropyl-8-methylnona-6,8-dien-2-one
|
16058296 |
Click to see
CC(C)C(CCC(=O)C)C=CC(=C)C
|
194.31 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Benzoquinolines / Phenanthridines and derivatives
|
Nitidine
|
4501 |
Click to see
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
|
348.40 |
unknown |
via CMAUP database |
Norchelerythrine
|
443719 |
Click to see
COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC
|
333.30 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Furanoquinolines
|
Skimmianine
|
6760 |
Click to see
COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
|
259.26 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Hydroquinolones
|
Schinifoline
|
133504 |
Click to see
CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
|
257.37 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Quinolines and derivatives / Quinolones and derivatives / Pyranoquinolines
|
Zanthobungeanine
|
5315422 |
Click to see
CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)C
|
271.31 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids
|
2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
|
10265117 |
Click to see
C1OC2=C(O1)C=C3C(=C2)C=C(O3)C4=C(C=C(C=C4)O)O
|
270.24 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Coumarins and derivatives
|
Scoparone
|
8417 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC
|
206.19 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 6-prenylated flavans / 6-prenylated flavanones
|
(2R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
163064315 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
(2S)-2-(2,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
118975919 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2S)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)chroman-4-one
|
6475922 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(93)85057-X https://doi.org/10.1016/0031-9422(92)90056-V |
2-(2,4-Dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
76447191 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
6-(3,7-Dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
74819407 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
Sophoraflavanone D
|
42608021 |
Click to see
CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C(C=C3O)O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / 8-prenylated flavans / 8-prenylated flavanones
|
(2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
163192895 |
Click to see
CC(=CCCC(=CCOC1=C2C(=O)C(C(OC2=C(C(=C1)O)CC=C(C)C)C3=C(C=C(C=C3O)OC)O)O)C)C
|
538.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
101630419 |
Click to see
CC(=CCCC(=CCC1=C(C(=C2C(=C1O)C(=O)C(C(O2)C3=C(C=C(C=C3O)OC)O)O)CC=C(C)C)O)C)C
|
538.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2R,3S)-2-(2,6-dihydroxy-4-methoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
163026378 |
Click to see
CC(=CCCC(=CCC1=C(C(=C2C(=C1O)C(=O)C(C(O2)C3=C(C=C(C=C3O)OC)O)O)CC=C(C)C)O)C)C
|
538.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2R)-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
163011880 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C
|
370.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2R)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
|
163031439 |
Click to see
CC1(CCC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C
|
356.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2R)-2-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
162872935 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
163056632 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3O)OC)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2R)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
163014014 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
163011881 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C
|
370.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2S)-2-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
118975916 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(2S)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
101630634 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3O)OC)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2S)-2-(2,6-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
101630420 |
Click to see
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)OC)O)C
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
(2S)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
15138470 |
Click to see
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC=C(C)C)O)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
15138469 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
(R,S)-sophoraflavanone C
|
102004708 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
|
74819414 |
Click to see
CC1(CCC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C
|
356.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
2-(2,4-Dihydroxyphenyl)-8-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
85403243 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
2-(2,6-Dihydroxy-4-methoxyphenyl)-5-(3,7-dimethylocta-2,6-dienoxy)-3,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
162940297 |
Click to see
CC(=CCCC(=CCOC1=C2C(=O)C(C(OC2=C(C(=C1)O)CC=C(C)C)C3=C(C=C(C=C3O)OC)O)O)C)C
|
538.60 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
8-(3,7-Dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
|
74819408 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
Kenusanone B
|
11070235 |
Click to see
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC=C(C)C)O)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(92)90056-V |
Kenusanone D
|
42608024 |
Click to see
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)OC)O)C
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
Kenusanone E
|
42608023 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3O)OC)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
Kenusanone I
|
42608020 |
Click to see
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C
|
370.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
Kenusanone J
|
42608049 |
Click to see
CC1(CCC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C
|
356.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
Sophoraflavanone E
|
42608022 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)C)C
|
440.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-
|
1889 |
Click to see
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
|
256.25 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
Liquiritigenin
|
114829 |
Click to see
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
|
256.25 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
3,5,6-Trihydroxy-7,4'-dimethoxyflavone
|
5322058 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)O
|
330.29 |
unknown |
via CMAUP database |
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
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
5317847 |
Click to see
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
94858662 |
Click to see
COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
508.40 |
unknown |
via CMAUP database |
Guaijaverin
|
5481224 |
Click to see
C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
|
434.30 |
unknown |
via CMAUP database |
Hyperoside
|
5281643 |
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 |
isorhamnetin 3-O-glucoside
|
5318645 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
478.40 |
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 |
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 / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
3,7-Bis(beta-D-glucopyranosyloxy)-3',5-dihydroxy-4'-methoxyflavone
|
102574483 |
Click to see
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
|
640.50 |
unknown |
via CMAUP database |
Isorhamnetin 7-glucoside
|
6455477 |
Click to see
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
|
478.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
|
(1R,12S,20R)-20-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
|
14704596 |
Click to see
COC1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(1S,12S,20S)-20-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
|
163086781 |
Click to see
COC1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X https://doi.org/10.1016/0031-9422(92)90056-V |
3-Hydroxy-8,9-methylenedioxypterocarpane
|
363863 |
Click to see
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
284.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
Maackiain
|
91510 |
Click to see
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
284.26 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
Medicarpin
|
336327 |
Click to see
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O
|
270.28 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
Sophoracarpan B
|
14704594 |
Click to see
COC1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
314.29 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(93)85057-X https://doi.org/10.1016/0031-9422(92)90056-V |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
2,3-Dehydrokievitone
|
5746354 |
Click to see
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)C
|
354.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
Genistein
|
5280961 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
|
270.24 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(92)90056-V https://doi.org/10.1016/0031-9422(93)85057-X |
Licoisoflavone A
|
5281789 |
Click to see
CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
|
354.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 3-prenylated isoflavanones
|
(+)-Echinoisoflavanone
|
14482999 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
(3R)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
|
162996270 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
(3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
163026619 |
Click to see
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=CC(=CC(=C3C2=O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
(3R)-3,5,7-trihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-4-one
|
163084906 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 https://doi.org/10.1016/0031-9422(93)85057-X |
(3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one
|
162942052 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O)C
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(3S)-3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
|
162996269 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
(3S)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
163186998 |
Click to see
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=CC(=CC(=C3C2=O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
(3S)-3,5,7-trihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-4-one
|
163084905 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
(3S)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one
|
162942051 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O)C
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(3S)-5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
|
162977186 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C
|
370.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
(3S)-5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
92469183 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C
|
438.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V |
3-[5-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
85122337 |
Click to see
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=CC(=CC(=C3C2=O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 |
3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
10365031 |
Click to see
CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=CC(=CC(=C3C2=O)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/S0031-9422(00)98278-5 https://doi.org/10.1016/0305-1978(95)00056-9 |
3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one
|
162942050 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O)C
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
Isosophoranone
|
10478290 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C
|
438.50 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(92)90056-V |
Sophoraisoflavanone A
|
442822 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2COC3=CC(=CC(=C3C2=O)O)O)O)C
|
370.40 |
unknown |
https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(92)90056-V |
Sophoronol
|
15138471 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 https://doi.org/10.1016/0031-9422(92)83646-G https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 8-prenylated isoflavanones
|
(3R)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
163036277 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
(3S)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
163194168 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
3-(2,4-Dihydroxyphenyl)-8-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
163036276 |
Click to see
CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C)C
|
424.50 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 2-O-methylated isoflavonoids
|
(3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-4-one
|
162877494 |
Click to see
CC(C)(C=C)C1=C(C=C(C(=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)O
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-4-one
|
162877493 |
Click to see
CC(C)(C=C)C1=C(C=C(C(=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)O
|
386.40 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids
|
3-[2,4-dimethoxy-3-(3-methylbut-2-en-2-yl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
|
45270698 |
Click to see
CC(=C(C)C1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
400.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids / 3-hydroxy,4-methoxyisoflavonoids
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(3S)-secundiflorol H
|
46881083 |
Click to see
COC1=C(C=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-
|
67182664 |
Click to see
COC1=C(C=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1016/0031-9422(93)85057-X |
Pratensein
|
5281803 |
Click to see
COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
|
300.26 |
unknown |
https://doi.org/10.1016/0031-9422(92)90056-V https://doi.org/10.1016/0031-9422(92)83646-G |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids
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(3R)-5-hydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one
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162931700 |
Click to see
CC(C)(C=C)C1=C(C=C(C(=C1)C2COC3=CC(=CC(=C3C2=O)O)OC)OC)O
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
(3S)-5-hydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-methoxy-2,3-dihydrochromen-4-one
|
162931701 |
Click to see
CC(C)(C=C)C1=C(C=C(C(=C1)C2COC3=CC(=CC(=C3C2=O)O)OC)OC)O
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 |
Echinoisosophoranone
|
14482998 |
Click to see
CC(C)(C=C)C1=C(C=C(C(=C1)C2COC3=CC(=CC(=C3C2=O)O)OC)OC)O
|
384.40 |
unknown |
https://doi.org/10.1248/CPB.37.2879 https://doi.org/10.1016/S0031-9422(00)98278-5 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
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4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid
|
14132337 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
|
330.29 |
unknown |
via CMAUP database |