DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:45:53 UTC
Update Date	2025-03-21 18:00:40 UTC
HMDB ID	HMDB0041737
Metabolite Identification
DeepMet ID	DMID00028734
Name	Genistein 4'-O-glucuronide
Frequency	130.8
Structure
Chemical Formula	C₂₁H₁₈O₁₁
Molecular Mass	446.0849
SMILES	O=C(O)C1OC(Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)C(O)C(O)C1O
InChI Key	NHEBJNCJBWUPCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflavonoid o-glycosides
Direct Parent	isoflavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives isoflavones monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound pyranone oxane organoheterocyclic compound isoflavone alcohol benzopyran pyran carboxylic acid or derivatives isoflavonoid-4p-o-glycoside heteroaromatic compound isoflavonoid o-glycoside hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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