DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:14 UTC
Update Date	2025-03-25 00:47:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02165267
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄O₁₁
Molecular Mass	464.1319
SMILES	CC1c2cc(O)c(O)cc2OC(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)C1O
InChI Key	SEMVQMXRRVNPOE-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 3-hydroxyflavonoids 6-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers alkyl glycosides beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides flavan-3-ols glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl glycoside of mono- or disaccharide 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 6-hydroxyflavonoid hydroxy acid flavonoid-4p-o-glucuronide oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound alkyl glycoside

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