DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:39 UTC
Update Date	2025-03-21 18:29:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00078141
Frequency	37.5
Structure
Chemical Formula	C₂₂H₂₀O₁₂
Molecular Mass	476.0955
SMILES	COc1cc2c(=O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2cc1O
InChI Key	QIBXBENBCKRBJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 6-o-methylated flavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoid-3-o-glycosides flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives 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 6-methoxyflavonoid-skeleton o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glucuronide flavonoid-3-o-glycoside pyranone oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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