|
> Alkaloids and derivatives / Harmala alkaloids
|
|
Begonanline
|
21577086 |
Click to see
COC(=O)C1=NC=CC2=C1NC3=C2C=C(C=C3)O
|
242.23 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acids
|
|
Benzoic Acid
|
243 |
Click to see
|
122.12 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
|
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Protocatechuic Acid
|
72 |
Click to see
|
154.12 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
|
|
3,4,5-Trimethoxybenzoic Acid
|
8357 |
Click to see
COC1=CC(=CC(=C1OC)OC)C(=O)O
|
212.20 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
|
Methyl Vanillate
|
19844 |
Click to see
|
182.17 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
|
|
Methylparaben
|
7456 |
Click to see
|
152.15 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
Protocatechuic acid, methyl ester
|
287064 |
Click to see
COC(=O)C1=CC(=C(C=C1)O)O
|
168.15 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Benzenoids / Benzene and substituted derivatives / Phenethylamines / Amphetamines and derivatives
|
|
N-Benzoyl-L-phenylalaninol
|
852848 |
Click to see
|
255.31 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
N-Benzoyl-L-phenylalaninol
|
100005 |
Click to see
C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=CC=C2
|
255.31 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Benzenoids / Phenols / Benzenetriols and derivatives / Hydroxyquinols and derivatives
|
|
1,2,4-Benzenetriol
|
10787 |
Click to see
|
126.11 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Benzenoids / Phenols / Methoxyphenols
|
|
Vanillin
|
1183 |
Click to see
COC1=C(C=CC(=C1)C=O)O
|
152.15 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Lignans, neolignans and related compounds
|
|
[(3S)-1,5-diphenylhex-5-en-3-yl]benzene
|
45356241 |
Click to see
|
312.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
2,4,6-Triphenyl-1-hexene
|
177033 |
Click to see
|
312.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
|
9-Hydroxylinoleic acid
|
21158590 |
Click to see
|
296.40 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
9-Hydroxyoctadeca-9,12-dienoic acid
|
73226949 |
Click to see
|
296.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Lipids and lipid-like molecules / Glycerolipids / Monoradylglycerols / Monoacylglycerols / 1-monoacylglycerols
|
|
[(2R)-2,3-dihydroxypropyl] tetracosanoate
|
163004763 |
Click to see
|
442.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
2,3-Dihydroxypropyl tetracosanoate
|
14542801 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
|
442.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls
|
|
Lutein A
|
5281243 |
Click to see
|
568.90 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
|
3-Hydroxyolean-12-en-28-oic acid
|
619166 |
Click to see
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
3,22-Dihydroxyolean-12-en-29-oic acid
|
5257562 |
Click to see
|
472.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
Maytenfolic Acid
|
21594203 |
Click to see
|
472.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
Oleanolic Acid
|
10494 |
Click to see
|
456.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Lipids and lipid-like molecules / Sphingolipids / Ceramides / Phytoceramides
|
|
2-(2-Hydroxytricosanoylamino)-1,3,4-hexadecanetriol
|
85270419 |
Click to see
|
642.00 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins
|
|
(2S,3R,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
68103154 |
Click to see
|
518.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
2885 |
Click to see
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
|
558.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
2887 |
Click to see
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O
|
556.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
|
73802899 |
Click to see
|
558.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
17-(1,5-Dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2,16-dihydroxy-4,4,9,14-tetramethylestra-1,5-diene-3,11-dione
|
2888 |
Click to see
CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C
|
514.60 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
17-(2,6-Dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
|
429242 |
Click to see
CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)O)C
|
518.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
|
4482417 |
Click to see
|
516.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
23,24-dihydrocucurbitacin E
|
21577087 |
Click to see
|
558.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Cucurbitacin B
|
5281316 |
Click to see
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
|
558.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Cucurbitacin B, dihydro-
|
588303 |
Click to see
CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
|
560.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Cucurbitacin E
|
5281319 |
Click to see
|
556.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
Cucurbitacin F
|
5281320 |
Click to see
|
518.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Cucurbitacin I
|
5281321 |
Click to see
|
514.60 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
Cucurbitacin L
|
441820 |
Click to see
|
516.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
Dihydrocucurbitacin B
|
267250 |
Click to see
|
560.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
|
(-)-beta-Sitosterol
|
222284 |
Click to see
|
414.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
(2R,3R,4S,5S,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
154496016 |
Click to see
|
576.80 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
12314479 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
b-Sitostenone
|
579897 |
Click to see
|
412.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
Stigmast-4-en-3-one
|
5484202 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
Stigmast-5-en-3-ol
|
22012 |
Click to see
|
414.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
Stigmasterol
|
5280794 |
Click to see
|
412.70 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives
|
|
(2-Benzamido-3-phenylpropyl) 2-benzamido-3-phenylpropanoate
|
328238 |
Click to see
|
506.60 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-benzamido-3-phenylpropanoate
|
57401749 |
Click to see
|
506.60 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
|
19423296 |
Click to see
|
349.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
Asperphenamate
|
173952 |
Click to see
|
506.60 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
|
|
(2R)-2-hydroxy-N-[(2R,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]tricosanamide
|
162929631 |
Click to see
|
642.00 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
|
|
(S)-Methyl 2,3-dihydroxypropanoate
|
11083880 |
Click to see
|
120.10 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
Methyl 2,3-dihydroxypropanoate
|
140003 |
Click to see
|
120.10 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
|
|
4-Hydroxybenzaldehyde
|
126 |
Click to see
|
122.12 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Organic oxygen compounds / Organooxygen compounds / Ethers / Acetals / Ketals
|
|
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
|
853165 |
Click to see
|
160.17 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Organoheterocyclic compounds / Benzodioxoles
|
|
1,3-Benzodioxole-5-carboxylic acid
|
7196 |
Click to see
|
166.13 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
|
669595 |
Click to see
|
269.29 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Chromones
|
|
5,7-Dihydroxychromone
|
5281343 |
Click to see
|
178.14 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
|
|
Uracil
|
1174 |
Click to see
|
112.09 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Organoheterocyclic compounds / Indoles and derivatives / Indolecarboxylic acids and derivatives
|
|
Indole-3-carboxylic acid
|
69867 |
Click to see
C1=CC=C2C(=C1)C(=CN2)C(=O)O
|
161.16 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
|
|
Indole-3-Carboxaldehyde
|
10256 |
Click to see
|
145.16 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
|
|
Nicotinic Acid
|
938 |
Click to see
|
123.11 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
|
[(12S)-12-methyldocosyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
163190933 |
Click to see
|
516.80 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
12-Methyldocosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
163017166 |
Click to see
|
516.80 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
|
3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid
|
2518 |
Click to see
|
180.16 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
4-Coumaric acid
|
322 |
Click to see
|
164.16 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
Caffeic Acid
|
689043 |
Click to see
|
180.16 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
Ferulic Acid
|
445858 |
Click to see
|
194.18 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
P-Coumaric Acid
|
637542 |
Click to see
|
164.16 |
unknown |
https://doi.org/10.1002/CHIN.200434239 https://doi.org/10.1248/CPB.52.345 |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
|
(-)-Catechol
|
73160 |
Click to see
|
290.27 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
|
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
|
1203 |
Click to see
|
290.27 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
|
|
Vitexin
|
5280441 |
Click to see
|
432.40 |
unknown |
https://doi.org/10.1002/CHIN.200434239 |
|
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-8-O-glycosides
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5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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6420079 |
Click to see
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448.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
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5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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6169038 |
Click to see
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448.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
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> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
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Daidzein
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5281708 |
Click to see
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254.24 |
unknown |
https://doi.org/10.1248/CPB.52.345 https://doi.org/10.1002/CHIN.200434239 |
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> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
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Daidzin
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107971 |
Click to see
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416.40 |
unknown |
https://doi.org/10.1248/CPB.52.345 |
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> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids
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2,4-Diphenyl-1-butene
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519286 |
Click to see
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208.30 |
unknown |
https://doi.org/10.1248/CPB.52.345 |