DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:24 UTC
Update Date	2025-03-25 00:55:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211503
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₂O₁₃
Molecular Mass	506.106
SMILES	CC(=O)OC1C(=O)c2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)cc2OC1c1ccc(O)cc1
InChI Key	KAQHZBCYNFVNDX-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 7-hydroxyflavonoids acetals alkyl aryl ethers alpha-acyloxy ketones aryl alkyl ketones benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acid esters carboxylic acids chromones dicarboxylic acids and derivatives flavanonols glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl ketone alpha-acyloxy ketone 1-benzopyran flavanone o-glucuronide monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran flavanonol 7-hydroxyflavonoid carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative aryl ketone carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid 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 4'-hydroxyflavonoid benzenoid organooxygen compound

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