DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:25 UTC
Update Date	2025-03-21 18:31:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084723
Frequency	33.8
Structure
Chemical Formula	C₂₁H₁₉O₁₀+
Molecular Mass	431.0973
SMILES	O=C(O)C1OC(Oc2cc3ccc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O
InChI Key	HTNPZQKERBMHNP-UHFFFAOYSA-O
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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 7-hydroxyflavonoids acetals anthocyanidin-3-o-glycosides anthocyanidins benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flavonoid-3-o-glycosides glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic cations organic oxides oxacyclic compounds oxanes pyran carboxylic acids 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 anthocyanidin-3-o-glycoside 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound flavonoid-3-o-glucuronide flavonoid-3-o-glycoside anthocyanidin organic cation oxane organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid anthocyanin organooxygen compound

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