DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 15:00:57 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	HMDB0133417
Metabolite Identification
DeepMet ID	DMID02203396
Name	7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-phenyl-1λ⁴-chromen-1-ylium
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₉O₈+
Molecular Mass	399.1074
SMILES	O=C(O)C1OC(Oc2ccc3ccc(-c4ccccc4)[o+]c3c2)C(O)C(O)C1O
InChI Key	FLOKSYRXLTWXGA-UHFFFAOYSA-O
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 acetals anthocyanidins benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids flavonoid-7-o-glycosides glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic cations organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound anthocyanidin organic cation oxane organoheterocyclic compound flavonoid-7-o-glycoside alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran flavonoid-7-o-glucuronide secondary alcohol hydrocarbon derivative benzenoid organooxygen compound

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