DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:27 UTC
Update Date	2025-03-21 17:56:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004891
Frequency	1125.4
Structure
Chemical Formula	C₂₈H₃₀O₁₈
Molecular Mass	654.1432
SMILES	COc1cc(C2CC(=O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)O2)ccc1O
InChI Key	VSMANZCTYUGTIM-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-hydroxy-2-unsubstituted benzenoids 3'-o-methylated flavonoids 4'-hydroxyflavonoids acetals alkyl aryl ethers anisoles aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols 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 methoxyphenol monosaccharide pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide acetal chromone oxane organoheterocyclic compound alcohol benzopyran methoxybenzene anisole dicarboxylic acid or derivatives 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 flavonoid-7-o-glycoside pyran carboxylic acid or derivatives hydroxy acid 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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