| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 15:07:52 UTC |
|---|
| Update Date | 2025-03-25 00:56:37 UTC |
|---|
| HMDB ID | HMDB0038089 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219540 |
|---|
| Name | Peonidin 3-arabinoside |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H21O10+ |
|---|
| Molecular Mass | 433.1129 |
|---|
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C2O)ccc1O |
|---|
| InChI Key | KGHFAKPGOXLHAB-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-o-methylated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesanthocyanidinsflavonoid-3-o-glycosidesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic cationsoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl etheranthocyanidin-3-o-glycosidesaccharideacetalaromatic heteropolycyclic compoundflavonoid-3-o-glycosideanthocyanidinorganic cationprimary alcoholorganoheterocyclic compoundalcoholbenzopyrantetrahydrofuranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
