DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:07 UTC
Update Date	2025-03-21 18:00:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029246
Frequency	128.0
Structure
Chemical Formula	C₂₈H₃₀O₁₈
Molecular Mass	654.1432
SMILES	COc1ccc(C2CC(=O)c3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	AOXJZSBOPVNUQA-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 1-hydroxy-4-unsubstituted benzenoids 4'-o-methylated flavonoids 8-hydroxyflavonoids 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 8-hydroxyflavonoid 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 hydroxy acid flavonoid-6-o-glucuronide 1-hydroxy-4-unsubstituted benzenoid oxacycle organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

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