DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:31:08 UTC
Update Date	2025-03-24 22:15:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01132540
Frequency	1.2
Structure
Chemical Formula	C₄₀H₄₈O₂₉
Molecular Mass	992.2281
SMILES	COc1ccc(C2CC(=O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZIKXJAVPHSIUOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-7-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	4'-o-methylated flavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives
Substituents	phenol ether monocyclic benzene moiety carboxylic acid aryl alkyl 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 methoxybenzene anisole 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound aryl ketone carbonyl group ether glucuronic acid or derivatives flavan tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol benzenoid organooxygen compound

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