DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:48 UTC
Update Date	2025-03-21 18:34:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102492
Frequency	26.6
Structure
Chemical Formula	C₃₄H₄₀O₂₄
Molecular Mass	832.191
SMILES	COc1ccc(C2CC(O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZYSHKVHWGZACNZ-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	1-benzopyrans 4'-o-methylated flavonoids 4-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flavan-4-ols 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 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal 4-hydroxyflavonoid oxane organoheterocyclic compound alcohol benzopyran methoxybenzene anisole 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound 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 flavan-4-ol benzenoid organooxygen compound

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