DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:00 UTC
Update Date	2025-03-25 00:53:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201295
Frequency	0.5
Structure
Chemical Formula	C₃₄H₃₈O₂₃
Molecular Mass	814.1804
SMILES	COc1ccc(C2C=Cc3c(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	YKTLNYHOAJKUJL-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 acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flav-3-enes 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 carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid methoxybenzene flav-3-ene oxacycle organic oxygen compound pyran anisole flavonoid-7-o-glucuronide secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID02201295