DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:28 UTC
Update Date	2025-03-21 18:40:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128168
Frequency	19.9
Structure
Chemical Formula	C₂₂H₂₄O₁₂
Molecular Mass	480.1268
SMILES	COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)CC(O)C(c1ccc(O)c(O)c1)O2
InChI Key	XRVSLMIEGVFBCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-o-methylated flavonoids acetals alkyl aryl ethers anisoles benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flavan-3-ols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound chromane oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid flavonoid-6-o-glucuronide 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran anisole secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid 7-methoxyflavonoid-skeleton organooxygen compound

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