DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:31 UTC
Update Date	2025-03-25 00:54:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206998
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₀O₁₀
Molecular Mass	480.1056
SMILES	O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3c(ccc4ccccc43)c2=O)C(O)C(O)C1O
InChI Key	UIMZQFIDYRSMBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid-3-o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoid-3-o-glycosides flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides naphthalenes naphthopyranone glycosides o-glucuronides organic oxides oxacyclic compounds oxanes pyran carboxylic acids pyranones and derivatives secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound flavonoid-3-o-glucuronide flavonoid-3-o-glycoside pyranone oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound hydroxy acid naphthopyranone oxacycle naphthopyran monocarboxylic acid or derivatives naphthalene organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative naphthopyranone glycoside benzenoid organooxygen compound

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