| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:14 UTC |
|---|
| Update Date | 2025-03-21 18:00:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029535 |
|---|
| Frequency | 126.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H12O7 |
|---|
| Molecular Mass | 316.0583 |
|---|
| SMILES | COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O |
|---|
| InChI Key | KZSRKQQVUFTOHJ-UHFFFAOYSA-N |
|---|
| 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-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoids8-hydroxyflavonoidsalkyl aryl ethersanisoleschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivativesvinylogous acids |
|---|
| Substituents | 8-hydroxyflavonoidphenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclevinylogous acidorganic oxygen compoundpyrananisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
