DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:58 UTC
Update Date	2025-03-21 17:59:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00021983
Frequency	180.9
Structure
Chemical Formula	C₂₈H₃₂O₁₈
Molecular Mass	656.1589
SMILES	COc1cc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3CC2O)ccc1O
InChI Key	IOAOOMOGXMXHIZ-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 1-hydroxy-2-unsubstituted benzenoids 3'-o-methylated flavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins dicarboxylic acids and derivatives 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 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide methoxyphenol monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran methoxybenzene anisole dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound 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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