DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:44:22 UTC
Update Date	2025-03-21 18:00:06 UTC
HMDB ID	HMDB0303791
Metabolite Identification
DeepMet ID	DMID00025164
Name	Chrysoeriol 7-glucuronide
Frequency	153.8
Structure
Chemical Formula	C₂₂H₂₀O₁₂
Molecular Mass	476.0955
SMILES	COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)ccc1O
InChI Key	VLYLVFHVHHGXHX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoid-7-o-glycosides flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carboxylic acid 1-benzopyran o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid methoxybenzene vinylogous acid anisole phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound pyranone flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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