| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:04:28 UTC |
|---|
| Update Date | 2025-03-21 18:28:36 UTC |
|---|
| HMDB ID | HMDB0003173 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072876 |
|---|
| Name | Petunidin |
|---|
| Frequency | 41.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H13O7+ |
|---|
| Molecular Mass | 317.0656 |
|---|
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O |
|---|
| InChI Key | AFOLOMGWVXKIQL-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 3'-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesanthocyanidinsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | phenol ether3-hydroxyflavonoidmonocyclic benzene moietyether1-benzopyranmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeleton3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
