> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
|
Gallic Acid
|
370 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)O
|
170.12 |
unknown |
https://doi.org/10.1007/S11418-009-0378-9 |
Methylgallic acid
|
20223962 |
Click to see
CC1=C(C(=C(C=C1C(=O)O)O)O)O
|
184.15 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
Methyl gallate
|
7428 |
Click to see
COC(=O)C1=CC(=C(C(=C1)O)O)O
|
184.15 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids
|
[(1R,2R,6R,10R,11R,12S,13S,14R,15R)-13-acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate
|
162932261 |
Click to see
CCCCCCCCCCCC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
588.80 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
[(1R,2R,6R,10R,11R,12S,13S,14R,15R)-13-acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate
|
163022905 |
Click to see
CCCCCC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
504.60 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
[(1R,2R,6S,10R,11R,12S,13S,14R,15R)-13-acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E)-deca-2,4-dienoate
|
163011203 |
Click to see
CCCCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
556.70 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
[(1R,2R,6S,10S,11R,12S,13S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
|
44521558 |
Click to see
CC1C(C2(C(C2(C)COC(=O)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)O)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[(1S,2S,6R,10S,11R,12S,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
|
44521559 |
Click to see
CC1C(C2(C(C2(C)COC(=O)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
|
422.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[1,13,14-Trihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
|
75041557 |
Click to see
CC1C(C2(C(C2(C)COC(=O)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)O)O
|
406.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[1,6,13,14-Tetrahydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
|
75041558 |
Click to see
CC1C(C2(C(C2(C)COC(=O)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
|
422.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[13-Acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4-dienoate
|
163011202 |
Click to see
CCCCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
556.70 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
[13-Acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate
|
162932260 |
Click to see
CCCCCCCCCCCC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
588.80 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
[13-Acetyloxy-1-hydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate
|
163022904 |
Click to see
CCCCCC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)CO)OC(=O)C)CO)C)O)C
|
504.60 |
unknown |
https://doi.org/10.1016/0031-9422(83)80228-3 |
Sapinsignoid A
|
57408526 |
Click to see
CCCCCCCCC(C=CC=CC(=O)OC12CC(C3(C(C1C2(C)COC(=O)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C)O
|
628.80 |
unknown |
https://doi.org/10.1021/NP300004Y |
Sapinsignoid B
|
57408527 |
Click to see
CCCCCCCCC(C=CC=CC(=O)OC12CC(C3(C(C1C2(C)COC(=O)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C)O
|
628.80 |
unknown |
https://doi.org/10.1021/NP300004Y |
Sapinsignoid C
|
57408528 |
Click to see
CCCCCCCCC(=O)C=CC=CC(=O)OC12CC(C3(C(C1C2(C)COC(=O)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
|
626.80 |
unknown |
https://doi.org/10.1021/NP300004Y |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Tigliane and ingenane diterpenoids / Phorbol esters
|
Sapinsignoid D
|
57408646 |
Click to see
CCCCCCCCC=CC=CCC(=O)OC12CC(C3(C(C1C2(C)COC(=O)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
|
612.80 |
unknown |
https://doi.org/10.1021/NP300004Y |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
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3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid
|
348159 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
Neochlorogenic acid
|
5280633 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
|
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
346340 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
|
354.31 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
7-hydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yl)oxy]chromen-2-one
|
5909448 |
Click to see
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O
|
370.31 |
unknown |
https://doi.org/10.1007/S11418-009-0378-9 |
Fraxin
|
5273568 |
Click to see
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O
|
370.31 |
unknown |
https://doi.org/10.1007/S11418-009-0378-9 |
Scopolin
|
439514 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
|
354.31 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
3-Hydroxy-5,7,8-trimethoxyflavone
|
44259915 |
Click to see
COC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC=CC=C3)O)OC)OC
|
328.30 |
unknown |
https://doi.org/10.1055/S-2007-969271 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
121540514 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
44259215 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
12313332 |
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
|
594.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
Kaempferol-3-O-rutinoside
|
5318767 |
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
|
594.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
Reynoutrin
|
5878729 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
Vitamin P
|
5293655 |
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 |
https://doi.org/10.1248/CPB.57.1289 |
> Phenylpropanoids and polyketides / Isocoumarins and derivatives
|
(1S)-7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid
|
90654761 |
Click to see
C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O
|
292.20 |
unknown |
https://doi.org/10.1007/S11418-009-0378-9 |
Brevifolincarboxylic acid
|
9838995 |
Click to see
C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O
|
292.20 |
unknown |
https://doi.org/10.1007/S11418-009-0378-9 |
> Phenylpropanoids and polyketides / Tannins
|
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
|
4628122 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O
|
332.26 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[3,5-Dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate
|
85372017 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O
|
484.40 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
[5-Hydroxy-3,4,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
14188629 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
|
788.60 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
1,3,4,6-Tetragalloylglucose
|
471531 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O
|
788.60 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
beta-Glucogallin
|
124021 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(C(C(O2)CO)O)O)O
|
332.26 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
galloyl(-3)Glc(b)-O-galloyl
|
11027295 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2O)OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O
|
484.40 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
(6,7,8,11,12,13,22,23-Octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl) 3,4,5-trihydroxybenzoate
|
5089683 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |
Corilagin
|
73568 |
Click to see
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
|
634.50 |
unknown |
https://doi.org/10.1248/CPB.57.1289 |