DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:09 UTC
Update Date	2025-03-25 00:49:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176562
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₂O₁₇
Molecular Mass	640.164
SMILES	COC(=O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc3c2CC(c2ccc(OC)c(O)c2)O3)C(O)C(O)C1O
InChI Key	YZBUWTDCWUEOKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	2-arylbenzofuran flavonoids
Subclass	2-arylbenzofuran flavonoids
Direct Parent	2-arylbenzofuran flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids coumarans dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols methyl esters monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives 2-arylbenzofuran flavonoid o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide methyl ester acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound coumaran alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID02176562