DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:28 UTC
Update Date	2025-03-21 17:56:59 UTC
HMDB ID	HMDB0033682
Metabolite Identification
DeepMet ID	DMID00004940
Name	Pelargonidin 3-galactoside
Frequency	1110.3
Structure
Chemical Formula	C₂₁H₂₁O₁₀+
Molecular Mass	433.1129
SMILES	OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O
InChI Key	ABVCUBUIXWJYSE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	anthocyanidin-3-o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals anthocyanidins benzene and substituted derivatives flavonoid-3-o-glycosides heteroaromatic compounds hydrocarbon derivatives monosaccharides organic cations oxacyclic compounds oxanes primary alcohols secondary alcohols
Substituents	monocyclic benzene moiety 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid monosaccharide anthocyanidin-3-o-glycoside saccharide acetal aromatic heteropolycyclic compound flavonoid-3-o-glycoside anthocyanidin organic cation oxane primary alcohol organoheterocyclic compound alcohol benzopyran heteroaromatic compound 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid oxacycle organic oxygen compound 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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