> Benzenoids / Benzene and substituted derivatives
|
Mandelonitrile
|
10758 |
Click to see
C1=CC=C(C=C1)C(C#N)O
|
133.15 |
unknown |
https://doi.org/10.1002/PCA.2800040308 |
Phenylethyl Alcohol
|
6054 |
Click to see
C1=CC=C(C=C1)CCO
|
122.16 |
unknown |
https://doi.org/10.1016/0031-9422(90)85126-Z |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3,4-Dihydroxybenzoic acid
|
72 |
Click to see
C1=CC(=C(C=C1C(=O)O)O)O
|
154.12 |
unknown |
https://doi.org/10.1021/JF0734727 |
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
|
Benzaldehyde
|
240 |
Click to see
C1=CC=C(C=C1)C=O
|
106.12 |
unknown |
https://doi.org/10.1002/PCA.2800040308 |
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
|
Benzyl Alcohol
|
244 |
Click to see
C1=CC=C(C=C1)CO
|
108.14 |
unknown |
https://doi.org/10.1016/0031-9422(90)85126-Z |
> Benzenoids / Phenols / Methoxyphenols
|
Eugenol
|
3314 |
Click to see
COC1=C(C=CC(=C1)CC=C)O
|
164.20 |
unknown |
https://doi.org/10.1016/0031-9422(90)85126-Z |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1021/JF00030A007 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides
|
2-[(3R)-2-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
|
162869298 |
Click to see
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
369.32 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-[2-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
|
72830143 |
Click to see
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
|
369.32 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
Linoleic Acid
|
5280450 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)O
|
280.40 |
unknown |
https://doi.org/10.1021/JF00030A007 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C19-gibberellins / C19-gibberellin 6-carboxylic acids
|
(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
101995857 |
Click to see
CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
(1S,2R,5S,8R,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
162941364 |
Click to see
CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
(1S,2R,5S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
163188134 |
Click to see
CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
|
131752584 |
Click to see
CC12C(C=CC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
131752375 |
Click to see
CC12C(CCC3(C1C(C45C3CC(C(C4)(C(=C)C5O)O)O)C(=O)O)OC2=O)O
|
380.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
GA44;Gibberellin 44
|
14464359 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibbane-1,10-dicarboxylic acid, 2,4a,6,7,9-pentahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,6alpha,9beta,10beta)-
|
101663489 |
Click to see
CC12C(CCC3(C1C(C45C3CC(C(C4)(C(=C)C5O)O)O)C(=O)O)OC2=O)O
|
380.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellic acid
|
6466 |
Click to see
CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A20
|
5280481 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A32
|
10992484 |
Click to see
CC12C(C=CC3(C1C(C45C3CC(C(C4)(C(=C)C5O)O)O)C(=O)O)OC2=O)O
|
378.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A44
|
5460372 |
Click to see
CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A87
|
101663385 |
Click to see
CC12C(C=CC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A95
|
312804 |
Click to see
CC12CC=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O
|
330.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellins
|
522636 |
Click to see
CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
NCGC00380836-01_C19H22O6_(1R,2R,4S,5R,8R,9S,10R,11S,12S)-4,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid
|
21596344 |
Click to see
CC12C(C=CC3(C1C(C45C3CC(C(C4)C(=C)C5)O)C(=O)O)OC2=O)O
|
346.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 20-carboxylic acids
|
12-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
|
12310184 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O
|
378.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
4-Methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
|
14464355 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
gibberellin A17
|
5460657 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C(=O)O)C(=O)O
|
378.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A25
|
14464358 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / C20-gibberellins / C20-gibberellin 6-carboxylic acids
|
8-Formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
4632015 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
Gibberellin A19
|
5460209 |
Click to see
CC1(CCCC2(C1C(C34C2CCC(C3)(C(=C)C4)O)C(=O)O)C=O)C(=O)O
|
362.40 |
unknown |
https://doi.org/10.1016/0031-9422(96)00035-0 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
|
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate
|
25180961 |
Click to see
CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C
|
360.50 |
unknown |
https://doi.org/10.1021/JF00018A010 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
1,3,4-Trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
|
53420248 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
|
338.31 |
unknown |
https://doi.org/10.1021/JF0734727 |
3-{[3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic 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/10.1021/JF0734727 https://doi.org/10.1021/JF980936F |
3-O-Feruloylquinic acid
|
9799386 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O
|
368.30 |
unknown |
https://doi.org/10.1021/JF0734727 |
3-p-Coumaroylquinic acid
|
9945785 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
|
338.31 |
unknown |
https://doi.org/10.1021/JF0734727 |
5-O-Feruloylquinic acid
|
73210496 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O
|
368.30 |
unknown |
https://doi.org/10.1021/JF0734727 |
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 |
https://doi.org/10.1021/JF0734727 https://doi.org/10.1021/JF980936F |
Methyl chlorogenate
|
6476139 |
Click to see
COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
|
368.30 |
unknown |
https://doi.org/10.1021/NP980268S |
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/10.1021/JF0734727 |
trans-5-O-(4-coumaroyl)-D-quinic acid
|
6441280 |
Click to see
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O
|
338.31 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
|
(2R)-2-phenyl-2-[(4S,5S)-3,4,5-trihydroxy-6-[[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
|
134694146 |
Click to see
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
457.40 |
unknown |
https://doi.org/10.1002/PCA.2800040308 |
Amygdalin
|
656516 |
Click to see
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
457.40 |
unknown |
https://doi.org/10.1002/PCA.2800040308 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]oxane-3,4,5-triol
|
163005112 |
Click to see
C1=CC(=CC=C1C(COC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3-hydroxy-4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
162916017 |
Click to see
COC1=C(C=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
(3-Hydroxyphenyl)methyl beta-D-glucopyranoside
|
91611306 |
Click to see
C1=CC(=CC(=C1)O)COC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)methoxy]oxane-3,4,5-triol
|
4155678 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(3-hydroxy-4-methoxyphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
|
162916016 |
Click to see
COC1=C(C=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-(Hydroxymethyl)-6-[2-(4-hydroxyphenyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]oxane-3,4,5-triol
|
74323769 |
Click to see
C1=CC(=CC=C1C(COC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O
|
478.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
3-Hydroxybenzyl alcohol glucoside
|
131752337 |
Click to see
C1=CC(=CC(=C1)O)COC2C(C(C(C(O2)CO)O)O)O
|
286.28 |
unknown |
https://doi.org/10.1021/JF0734727 |
Benzyl beta-d-glucopyranoside
|
188977 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
|
270.28 |
unknown |
https://doi.org/10.1016/0031-9422(90)85126-Z |
Benzyl gentiobioside
|
6453389 |
Click to see
C1=CC=C(C=C1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
|
Melatonin
|
896 |
Click to see
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
|
232.28 |
unknown |
https://doi.org/10.1021/JF010321+ |
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
|
1H-Indole-3-acetic acid, 2,3-dihydro-3-hydroxy-2-oxo-
|
10488522 |
Click to see
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)O
|
207.18 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetic acid
|
92449351 |
Click to see
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)O
|
207.18 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
|
Indole-3-acetic acid
|
802 |
Click to see
C1=CC=C2C(=C1)C(=CN2)CC(=O)O
|
175.18 |
unknown |
https://doi.org/10.1016/S0021-9673(00)94477-7 |
Methyl indole-3-acetate
|
74706 |
Click to see
COC(=O)CC1=CNC2=CC=CC=C21
|
189.21 |
unknown |
https://doi.org/10.1016/S0021-9673(00)94477-7 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
[(1R,2R,3R)-2,3-dihydroxycyclopentyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
9903816 |
Click to see
C1CC(C(C1O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O
|
280.27 |
unknown |
https://doi.org/10.1021/NP980268S |
[(2S,5R)-2,5-dihydroxycyclopentyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
9903815 |
Click to see
C1CC(C(C1O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O
|
280.27 |
unknown |
https://doi.org/10.1021/NP980268S |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
Ferulic acid
|
445858 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)O)O
|
194.18 |
unknown |
https://doi.org/10.1016/0031-9422(83)83029-5 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
(2R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid
|
162844507 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(CC(=O)O)C(=O)O
|
406.30 |
unknown |
https://doi.org/10.1021/JF0734727 |
(3S)-3-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-methoxy-4-oxobutanoic acid
|
163013110 |
Click to see
COC(=O)C(CC(=O)O)OC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O
|
420.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid
|
74323771 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(CC(=O)O)C(=O)O
|
406.30 |
unknown |
https://doi.org/10.1021/JF0734727 |
3-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-4-methoxy-4-oxobutanoic acid
|
74323772 |
Click to see
COC(=O)C(CC(=O)O)OC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O
|
420.40 |
unknown |
https://doi.org/10.1021/JF0734727 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
|
667495 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/JF980936F |
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
|
932 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/JF980936F |
Naringenin
|
439246 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
272.25 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Chrysin
|
5281607 |
Click to see
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
254.24 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Kaempferol
|
5280863 |
Click to see
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
https://doi.org/10.1021/JF0734727 |
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/10.1021/JF0734727 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
|
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
44256715 |
Click to see
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
449.40 |
unknown |
https://doi.org/10.1021/JF960896K https://doi.org/10.1021/JF00018A010 |
Cyanidin 3-(2G-glucosylrutinoside)
|
56671053 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O
|
757.70 |
unknown |
https://doi.org/10.1111/J.1365-2621.2004.TB09956.X |
cyanidin 3-O-sophoroside
|
11169452 |
Click to see
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
|
611.50 |
unknown |
https://doi.org/10.1021/JF00018A010 |
Keracyanin cation
|
441674 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O
|
595.50 |
unknown |
https://doi.org/10.1111/J.1365-2621.2004.TB09956.X |
Kuromanin
|
441667 |
Click to see
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
|
449.40 |
unknown |
https://doi.org/10.1111/J.1365-2621.2004.TB09956.X |
Peonidin 3-rutinoside
|
90470732 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O)O)O
|
609.60 |
unknown |
https://doi.org/10.1111/J.1365-2621.2004.TB09956.X |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
|
(2E)-1-[2-(beta-D-Glucopyranosyloxy)-6-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
|
14524444 |
Click to see
COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)C=CC3=CC=C(C=C3)O)O
|
448.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
(2S)-5-(beta-D-Glucopyranosyloxy)-2,3-dihydro-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
|
14841121 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
348162 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/JF980936F |
2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
15560235 |
Click to see
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=C(C=C4)O
|
446.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
7-methoxy-2-phenyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
162903771 |
Click to see
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4
|
430.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85467-T |
7-Methoxy-2-phenyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
162903770 |
Click to see
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4
|
430.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85467-T |
Apigenin 5-O-beta-D-glucopyranoside
|
14730806 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
Apigenin 5-O-beta-D-glucopyranoside; Apigenin 5-O-beta-D-glucoside; Apigenin 5-glucoside; Apigenin 5-beta-D-glucopyranoside
|
14730805 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
Pinostrobin 5-glucoside
|
14841120 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(91)84200-C |
Sakuranin
|
73607 |
Click to see
COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O
|
448.40 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
5320854 |
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/10.1021/JF980936F |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
5378597 |
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 |
https://doi.org/10.1021/JF0734727 |
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/10.1021/JF980936F |
7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxychromen-4-one
|
162873474 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O)O
|
888.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83951-5 |
7-Hydroxy-2-[4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxychromen-4-one
|
162873473 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(C(O2)OC3=C(OC4=C(C3=O)C=CC(=C4)O)C5=CC=C(C=C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O)O
|
888.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83951-5 |
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 |
https://doi.org/10.1021/JF0734727 |
Isorhamnetin 3-robinobioside
|
6223069 |
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)OC)O)O)O)O)O)O
|
624.50 |
unknown |
https://doi.org/10.1021/JF980936F https://doi.org/10.1021/JF0734727 |
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/10.1021/JF980936F |
Narcissin
|
5481663 |
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)OC)O)O)O)O)O)O
|
624.50 |
unknown |
https://doi.org/10.1021/JF980936F https://doi.org/10.1021/JF0734727 |
Quercetin 3-alloside
|
12304327 |
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 |
https://doi.org/10.1021/JF980936F |
Quercetin 3-O-rhamnoside
|
5353915 |
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/10.1021/JF980936F |
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/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
154497293 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
|
434.40 |
unknown |
https://doi.org/10.1021/JF980936F |
5-hydroxy-2-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxychromen-4-one
|
163045405 |
Click to see
CC1C(C(C(C(O1)OC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=C(C=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O
|
920.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83951-5 |
5-hydroxy-2-[4-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
162920625 |
Click to see
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O
|
934.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83951-5 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 5-O-methylated flavonoids
|
(2R)-2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
|
163048983 |
Click to see
COC1=CC(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC
|
330.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94394-2 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Isothymusin
|
630253 |
Click to see
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O)OC
|
330.29 |
unknown |
https://doi.org/10.1021/JF980936F |
Pinostrobin
|
6950539 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
|
270.28 |
unknown |
https://doi.org/10.1021/JF980936F |
Sakuranetin
|
73571 |
Click to see
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
|
286.28 |
unknown |
https://doi.org/10.1021/JF980936F |
Tectochrysin
|
5281954 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
|
268.26 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
Genistein
|
5280961 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
|
270.24 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
|
3-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-4H-1-benzopyran-4-one
|
14583643 |
Click to see
C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85467-T |
5-hydroxy-3-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
12310089 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1021/JF980936F |
Genistein 5-glucoside
|
14583642 |
Click to see
C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)85467-T |
Genistin
|
5281377 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1021/JF980936F https://doi.org/10.1016/S0031-9422(00)97795-1 |
Genistoside
|
5284639 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 7-O-methylated isoflavonoids / 7-O-methylisoflavones
|
Prunetin
|
5281804 |
Click to see
COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O
|
284.26 |
unknown |
https://doi.org/10.1021/JF980936F |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
|
1-(2,4-Dihydroxy-6-methoxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
|
56990522 |
Click to see
COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)O)O)OC
|
330.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94394-2 |
3-(2,4-Dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
|
53405575 |
Click to see
COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O)OC
|
344.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94394-2 |
Cerasidin
|
14034812 |
Click to see
COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O)OC
|
344.40 |
unknown |
https://doi.org/10.1055/S-0028-1097557 https://doi.org/10.1016/S0031-9422(00)94394-2 |
Cerasin
|
21680430 |
Click to see
COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)O)O)OC
|
330.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)94394-2 |
> Phenylpropanoids and polyketides / Phenylpropanoic acids
|
(2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoic acid
|
10013144 |
Click to see
C1=CC=C(C(=C1)CC(C(=O)O)O)O
|
182.17 |
unknown |
https://doi.org/10.1021/NP980268S |
2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid
|
3083977 |
Click to see
C1=CC=C(C(=C1)CC(C(=O)O)O)O
|
182.17 |
unknown |
https://doi.org/10.1021/NP980268S |