DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:45:53 UTC
Update Date	2025-03-21 18:00:41 UTC
HMDB ID	HMDB0041751
Metabolite Identification
DeepMet ID	DMID00028740
Name	Isopeonidin 3-galactoside
Frequency	130.8
Structure
Chemical Formula	C₂₂H₂₃O₁₁+
Molecular Mass	463.1235
SMILES	COc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc1O
InChI Key	CNTWHHYMFNSRNJ-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 3'-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles anthocyanidins flavonoid-3-o-glycosides heteroaromatic compounds hydrocarbon derivatives methoxybenzenes methoxyphenols monosaccharides organic cations oxacyclic compounds oxanes phenoxy compounds primary alcohols secondary alcohols
Substituents	phenol ether monocyclic benzene moiety ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether 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 methoxybenzene 3'-hydroxyflavonoid oxacycle organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID00028740