DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:26 UTC
Update Date	2025-03-21 18:06:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060830
Frequency	51.4
Structure
Chemical Formula	C₂₇H₂₆O₁₈
Molecular Mass	638.1119
SMILES	O=C(O)C1OC(Oc2cc(O)c3c(=O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
InChI Key	URQBUOBYVNIYBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones dicarboxylic acids and derivatives flavonoid-3-o-glycosides flavonoid-7-o-glucuronides flavonoid-7-o-glycosides flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glucuronide flavonoid-3-o-glycoside pyranone oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol dicarboxylic acid or derivatives 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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