DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:38 UTC
Update Date	2025-03-25 00:55:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02214389
Frequency	0.5
Structure
Chemical Formula	C₂₉H₃₂O₁₇
Molecular Mass	652.164
SMILES	CCOc1ccc(C2CC(=O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC3OC(C(=O)O)C(O)C(O)C3O)O2)cc1
InChI Key	OTMXCXMGBIFDGY-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	acetals alkyl aryl ethers aryl alkyl ketones beta hydroxy acids and derivatives carboxylic acids chromones dicarboxylic acids and derivatives flavanones flavonoid-7-o-glycosides glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives 1-benzopyran flavanone flavan o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound chromane oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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