DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:10 UTC
Update Date	2025-03-25 00:49:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176608
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₀O₁₂
Molecular Mass	476.0955
SMILES	O=C(O)C1OC(c2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1CO
InChI Key	OYJKYHIMONGFQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid c-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids benzene and substituted derivatives c-glucuronides carbonyl compounds carboxylic acids chromones dialkyl ethers flavonoids heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds oxanes primary alcohols pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether flavonoid c-glycoside saccharide organic oxide chromone aromatic heteropolycyclic compound pyranone oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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