DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:38:47 UTC
Update Date	2025-03-21 17:58:10 UTC
HMDB ID	HMDB0013689
Metabolite Identification
DeepMet ID	DMID00012674
Name	Peonidin-3-glucoside
Frequency	357.2
Structure
Chemical Formula	C₂₂H₂₃O₁₁+
Molecular Mass	463.1235
SMILES	COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)ccc1O
InChI Key	ZZWPMFROUHHAKY-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'-o-methylated flavonoids 4'-hydroxyflavonoids 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 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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