DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:02 UTC
Update Date	2025-03-25 00:50:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178600
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₁
Molecular Mass	464.1319
SMILES	COC1CC(c2ccc(O)cc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21
InChI Key	RVPFCSKOKDBFOR-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 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 4-o-methylated flavonoids 5-hydroxyflavonoids acetals alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers flavans flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 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 dialkyl ether 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid 4-methoxyflavonoid-skeleton organooxygen compound

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