| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:10:49 UTC |
|---|
| Update Date | 2025-03-21 18:31:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00087968 |
|---|
| Frequency | 32.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H15O6+ |
|---|
| Molecular Mass | 315.0863 |
|---|
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC)ccc1O |
|---|
| InChI Key | CFCVLHKVLNJVBP-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'-o-methylated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesanthocyanidinsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenol3-methoxyflavonoid-skeletonalkyl aryl etheraromatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
