> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
3-Hydroxybenzoic acid
|
7420 |
Click to see
C1=CC(=CC(=C1)O)C(=O)O
|
138.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86043-4 |
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86043-4 |
> 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/10.1002/JSFA.6627 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Galloyl esters
|
[(2R,3R,4R)-4-formyl-2,3-dihydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]pentyl] 3,4,5-trihydroxybenzoate
|
154496846 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(COC(=O)C2=CC(=C(C(=C2)O)O)O)(C=O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O
|
636.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
2,2',5-Tri-O-galloylhamamelofuranose
|
131752621 |
Click to see
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O
|
636.50 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
> 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/10.1016/S0031-9422(00)86043-4 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives / Salicylic acids
|
Salicylic Acid
|
338 |
Click to see
C1=CC=C(C(=C1)C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86043-4 |
> Benzenoids / Phenols / Benzenediols / Resorcinols
|
Orcinol
|
10436 |
Click to see
CC1=CC(=CC(=C1)O)O
|
124.14 |
unknown |
https://doi.org/10.1016/S0031-9422(00)86043-4 |
> Benzenoids / Phenols / Methoxyphenols
|
N-Trans-feruloyltramine
|
5280537 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
|
313.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
|
(5-formyl-1H-pyrrol-2-yl)methyl 4-hydroxybutanoate
|
163034142 |
Click to see
C1=C(NC(=C1)C=O)COC(=O)CCCO
|
211.21 |
unknown |
https://doi.org/10.1016/S0367-326X(01)00344-6 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
7067890 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88568-4 |
(1S,2R,4aS,6aR,6aS,6bR,8aS,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
38735514 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88568-4 |
beta-Ursolic acid
|
220774 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88568-4 |
Lup-20(29)-ene-3beta,28-diol
|
221023 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
|
442.70 |
unknown |
https://doi.org/10.1016/S0031-9422(00)88568-4 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
|
Alanine
|
5950 |
Click to see
CC(C(=O)O)N
|
89.09 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Alanine
|
602 |
Click to see
CC(C(=O)O)N
|
89.09 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids
|
DL-Glutamine
|
738 |
Click to see
C(CC(=O)N)C(C(=O)O)N
|
146.14 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Ornithine
|
389 |
Click to see
C(CC(C(=O)O)N)CN
|
132.16 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Threonine
|
205 |
Click to see
CC(C(C(=O)O)N)O
|
119.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Lysine, DL-
|
866 |
Click to see
C(CCN)CC(C(=O)O)N
|
146.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
|
Arginine
|
6322 |
Click to see
C(CC(C(=O)O)N)CN=C(N)N
|
174.20 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Glutamine
|
5961 |
Click to see
C(CC(=O)N)C(C(=O)O)N
|
146.14 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
L-ornithine
|
6262 |
Click to see
C(CC(C(=O)O)N)CN
|
132.16 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Lysine
|
5962 |
Click to see
C(CCN)CC(C(=O)O)N
|
146.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Threonine
|
6288 |
Click to see
CC(C(C(=O)O)N)O
|
119.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Arginine and derivatives
|
DL-Arginine
|
232 |
Click to see
C(CC(C(=O)O)N)CN=C(N)N
|
174.20 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
|
Asparagine
|
6267 |
Click to see
C(C(C(=O)O)N)C(=O)N
|
132.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Asparagine
|
236 |
Click to see
C(C(C(=O)O)N)C(=O)N
|
132.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
|
Aspartic Acid
|
5960 |
Click to see
C(C(C(=O)O)N)C(=O)O
|
133.10 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Aspartic acid
|
424 |
Click to see
C(C(C(=O)O)N)C(=O)O
|
133.10 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
|
DL-Glutamic acid
|
611 |
Click to see
C(CC(=O)O)C(C(=O)O)N
|
147.13 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Glutamic Acid
|
33032 |
Click to see
C(CC(=O)O)C(C(=O)O)N
|
147.13 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
|
DL-Histidine
|
773 |
Click to see
C1=C(NC=N1)CC(C(=O)O)N
|
155.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Histidine
|
6274 |
Click to see
C1=C(NC=N1)CC(C(=O)O)N
|
155.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
|
DL-Isoleucine
|
791 |
Click to see
CCC(C)C(C(=O)O)N
|
131.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
l-Isoleucine
|
6306 |
Click to see
CCC(C)C(C(=O)O)N
|
131.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
|
DL-Leucine
|
857 |
Click to see
CC(C)CC(C(=O)O)N
|
131.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Leucine
|
6106 |
Click to see
CC(C)CC(C(=O)O)N
|
131.17 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
|
Methionine
|
6137 |
Click to see
CSCCC(C(=O)O)N
|
149.21 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Racemethionine
|
876 |
Click to see
CSCCC(C(=O)O)N
|
149.21 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
|
DL-Phenylalanine
|
994 |
Click to see
C1=CC=C(C=C1)CC(C(=O)O)N
|
165.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Phenylalanine
|
6140 |
Click to see
C1=CC=C(C=C1)CC(C(=O)O)N
|
165.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
|
DL-Serine
|
617 |
Click to see
C(C(C(=O)O)N)O
|
105.09 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Serine
|
5951 |
Click to see
C(C(C(=O)O)N)O
|
105.09 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
|
DL-Tyrosine
|
1153 |
Click to see
C1=CC(=CC=C1CC(C(=O)O)N)O
|
181.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Tyrosine
|
6057 |
Click to see
C1=CC(=CC=C1CC(C(=O)O)N)O
|
181.19 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
|
DL-Valine
|
1182 |
Click to see
CC(C)C(C(=O)O)N
|
117.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Valine
|
6287 |
Click to see
CC(C)C(C(=O)O)N
|
117.15 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives
|
Gamma-Aminobutyric Acid
|
119 |
Click to see
C(CC(=O)O)CN
|
103.12 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
|
Cysteine
|
5862 |
Click to see
C(C(C(=O)O)N)S
|
121.16 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
DL-Cysteine
|
594 |
Click to see
C(C(C(=O)O)N)S
|
121.16 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
|
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/10.1002/JSFA.6627 |
> Organoheterocyclic compounds / Diazines / Pyrazines / Methoxypyrazines
|
Nocazine B
|
56600877 |
Click to see
CN1C(=CC2=CC=C(C=C2)OC)C(=NC(=CC3=CC=CC=C3)C1=O)OC
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89647-8 |
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
|
DL-Tryptophan
|
1148 |
Click to see
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
|
204.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
Tryptophan
|
6305 |
Click to see
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
|
204.22 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83785-1 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
|
N-Caffeoyltyramine
|
9994897 |
Click to see
C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O
|
299.32 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
1203 |
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/10.1002/JSFA.6627 |
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/10.1002/JSFA.6627 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Catechin gallates
|
Epigallocatechin 3-O-(3-O-methyl)gallate
|
9804842 |
Click to see
COC1=CC(=CC(=C1O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O
|
472.40 |
unknown |
via CMAUP database |
Epigallocatechin 3-O-(3,5-di-O-methylgallate)
|
9913276 |
Click to see
COC1=CC(=CC(=C1O)OC)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O
|
486.40 |
unknown |
via CMAUP database |
Epigallocatechin Gallate
|
65064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
|
458.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
|
(2R,3S)-3,4',5,7-Tetrahydroxy-3',5'-dimethoxy-2,3-dihydroflavone
|
101034223 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
348.30 |
unknown |
via CMAUP database |
Epigallocatechin
|
72277 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
|
306.27 |
unknown |
via CMAUP database |
> 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 |
via CMAUP database |
Eriodictyol
|
440735 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
|
288.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Apigenin
|
5280443 |
Click to see
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
270.24 |
unknown |
via CMAUP database |
Luteolin
|
5280445 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
|
286.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
Myricetin
|
5281672 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
318.23 |
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 |
https://doi.org/10.1002/JSFA.6627 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
|
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
72992711 |
Click to see
C1=CC(=CC=C1C=CC(=O)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
|
610.50 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
57369598 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
Helichrysoside
|
5317991 |
Click to see
C1=CC(=CC=C1C=CC(=O)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
|
610.50 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
Tiliroside
|
5320686 |
Click to see
C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
594.50 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
|
[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
|
5316590 |
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)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
|
616.50 |
unknown |
via CMAUP database |
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
163187679 |
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)C=CC6=CC=C(C=C6)O)O)O)O)O)O
|
740.70 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
[(2S,3S,4S,5S,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
162888756 |
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)C=CC6=CC=C(C=C6)O)O)O)O)O)O
|
740.70 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
|
74978039 |
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)C=CC6=CC=C(C=C6)O)O)O)O)O)O
|
740.70 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
2''-O-Galloylquercitrin
|
10031482 |
Click to see
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
|
600.50 |
unknown |
via CMAUP database |
3-[2-O-(4-Hydroxybenzoyl)-alpha-L-rhamnopyranosyloxy]-3',4',5,5',7-pentahydroxyflavone
|
101044324 |
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)OC(=O)C5=CC=C(C=C5)O)O)O
|
584.50 |
unknown |
via CMAUP database |
3''-O-Galloylmyricitrin
|
101248998 |
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)OC(=O)C5=CC(=C(C(=C5)O)O)O)O
|
616.50 |
unknown |
via CMAUP database |
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/10.1002/JLAC.198119810502 |
Myricetin 3-galactoside
|
5491408 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
|
480.40 |
unknown |
via CMAUP database |
Myricetin 3-O-beta-D-galactoside 6''-O-gallate
|
5319985 |
Click to see
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
|
632.50 |
unknown |
via CMAUP database |
Myricitrin
|
5281673 |
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)O
|
464.40 |
unknown |
via CMAUP database |
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/10.1002/JLAC.198119810502 |
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 |
https://doi.org/10.1002/JSFA.6627 |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
|
(2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
|
12310452 |
Click to see
COC1=C(C=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
|
302.28 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Genkwanin
|
5281617 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
|
284.26 |
unknown |
https://doi.org/10.1002/JLAC.198119810502 |
> Phenylpropanoids and polyketides / Tannins / Complex tannins
|
(1S,2S,20S,42S,46R)-46-[(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
101676951 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1206.90 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
Acutissimin A
|
16132408 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1206.90 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
CID 16167197
|
16167197 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1206.90 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins
|
(1R,2R,20R,42R,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
60165312 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-15-[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
101998420 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8=C(C(=C(C9=C8C(=O)OCC2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C4=C(C(=C(C(=C4C(=O)O3)C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C29)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O
|
1851.20 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89647-8 |
(1R,2S,24S,25R,29R)-7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
|
97046182 |
Click to see
C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O
|
632.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
(1S,2S,20S,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
154497663 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
(1S,2S,20S,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-15-[(1S,2S,20S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl]-46-[(3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
101670612 |
Click to see
C1C(C(C(C(O1)(C2C3C4C5C(COC(=O)C6=C(C7=C(C(=C(C=C7C(=O)O5)O)O)O)C(=C(C(=C6C8C9C1C5C(COC(=O)C6=CC(=C(C(=C6C6=C(C(=C(C=C6C(=O)O5)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5C5=C(C(=C(C(=C5O)O)O)C5=C(C8=C(C(=C5O)O)O)C(=O)O9)C(=O)O1)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C(=C1O)O)O)C1=C(C2=C(C(=C1O)O)O)C(=O)O3)C(=O)O4)O)O)O)O)O)O)O
|
1983.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89647-8 |
[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
|
100916646 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
Castalin
|
99973 |
Click to see
C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O
|
632.40 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
Chestanin
|
432620 |
Click to see
C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O
|
938.70 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 |
CID 12302513
|
12302513 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89647-8 https://doi.org/10.1016/S0031-9422(98)00114-9 https://doi.org/10.1002/JSFA.6627 |
CID 5458626
|
5458626 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(00)89647-8 https://doi.org/10.1002/JSFA.6627 https://doi.org/10.1016/S0031-9422(98)00114-9 |
Ellagic Acid
|
5281855 |
Click to see
C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
|
302.19 |
unknown |
https://doi.org/10.1002/JSFA.6627 https://doi.org/10.1016/S0031-9422(00)89647-8 |
Vescalagin
|
168165 |
Click to see
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
934.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00114-9 https://doi.org/10.1002/JSFA.6627 |