DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:56 UTC
Update Date	2025-03-25 00:53:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201132
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₂O₁₀
Molecular Mass	446.1213
SMILES	COc1cc(C2C=Cc3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3O2)ccc1O
InChI Key	CBSUOHYYTWBYIA-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 4'-hydroxyflavonoids 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 methoxyphenols monocarboxylic acids and derivatives 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 1-benzopyran 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 acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid methoxybenzene 3p-methoxyflavonoid-skeleton flav-3-ene oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID02201132