DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:57 UTC
Update Date	2025-03-25 00:46:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153388
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₂O₁₂
Molecular Mass	478.1111
SMILES	COc1ccc(O)c2c1OC(c1ccc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c1)CC2=O
InChI Key	WWPQQQMWSYOILY-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 8-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
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 5-hydroxyflavonoid vinylogous acid anisole phenol hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives 8-methoxyflavonoid-skeleton hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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