DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:33 UTC
Update Date	2025-03-25 00:50:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02182060
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₆O₁₈
Molecular Mass	638.1119
SMILES	O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3c(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)cc3c2=O)C(O)C(O)C1O
InChI Key	OALALISAJRANRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-8-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 6-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones dicarboxylic acids and derivatives flavonoid-3-o-glucuronides flavonoid-3-o-glycosides flavonoid-8-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
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 flavonoid-8-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 alcohol benzopyran pyran carboxylic acid or derivatives 6-hydroxyflavonoid heteroaromatic compound hydroxy acid flavonoid-8-o-glycoside oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID02182060