DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:29 UTC
Update Date	2025-03-25 00:48:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02165857
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₃O₁₀+
Molecular Mass	459.1286
SMILES	CC1C(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)OC(C(=O)O)C(O)C1C
InChI Key	WMLZSDLQNOZVBZ-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 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-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 heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative pyran carboxylic acid anthocyanidin-3-o-glycoside beta-hydroxy acid 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 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 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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