DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:05 UTC
Update Date	2025-03-25 00:57:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222390
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₂O₁₃
Molecular Mass	494.106
SMILES	O=CC1(O)Cc2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC1c1ccc(O)c(O)c1
InChI Key	YPNIBBGZOUCMQW-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 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids acetals aldehydes alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carboxylic acids catechins 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 tertiary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid phenol hydrocarbon derivative carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane flavonoid-7-o-glycoside pyran carboxylic acid or derivatives aldehyde hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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