DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:27 UTC
Update Date	2025-03-21 18:05:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056088
Frequency	56.9
Structure
Chemical Formula	C₂₂H₂₀O₁₂
Molecular Mass	476.0955
SMILES	COc1cc(-c2cc(=O)c3c(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)cc3o2)ccc1O
InChI Key	ABQMOKASFVNYKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones 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 esters
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 methoxybenzene anisole 7-hydroxyflavonoid phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative flavonoid-5-o-glucuronide organic oxide aromatic heteropolycyclic compound pyranone pyran carboxylic acid or derivatives vinylogous ester hydroxy acid 3p-methoxyflavonoid-skeleton oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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