DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:38:50 UTC
Update Date	2025-03-21 17:58:11 UTC
HMDB ID	HMDB0041735
Metabolite Identification
DeepMet ID	DMID00012802
Name	Formononetin 7-O-glucuronide
Frequency	353.3
Structure
Chemical Formula	C₂₂H₂₀O₁₀
Molecular Mass	444.1056
SMILES	COc1ccc(-c2coc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3c2=O)cc1
InChI Key	UMBVLOHYPOQARY-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	acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives isoflavones methoxybenzenes monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds 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 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 methoxybenzene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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