DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:48:21 UTC
Update Date	2025-03-21 18:01:45 UTC
HMDB ID	HMDB0041741
Metabolite Identification
DeepMet ID	DMID00034548
Name	Glycitein 7-O-glucuronide
Frequency	104.0
Structure
Chemical Formula	C₂₂H₂₀O₁₁
Molecular Mass	460.1006
SMILES	COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	HVZUFDAWJOXFQU-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 acetals alkyl aryl ethers anisoles benzene and substituted derivatives 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 pyran carboxylic acids pyranones and derivatives secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid isoflavonoid-7-o-glycoside monosaccharide alkyl aryl ether 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 heteroaromatic compound isoflavonoid o-glycoside hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID00034548