DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:38 UTC
Update Date	2025-03-21 18:34:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102086
Frequency	26.7
Structure
Chemical Formula	C₂₉H₃₂O₁₈
Molecular Mass	668.1589
SMILES	COc1cc2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(OC)c(OC3OC(C(=O)O)C(O)C(O)C3O)c1)O2
InChI Key	KXGXNVADLFGXCN-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	4'-o-methylated flavonoids 7-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid flavonoid-3p-o-glucuronide ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran methoxybenzene anisole dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives flavan alkyl aryl ether carboxylic acid derivative flavonoid-5-o-glucuronide organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran secondary alcohol benzenoid 7-methoxyflavonoid-skeleton organooxygen compound

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