| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:31 UTC |
|---|
| Update Date | 2025-03-25 00:56:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02221050 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H12O4 |
|---|
| Molecular Mass | 268.0736 |
|---|
| SMILES | O=C(O)c1ccc2c(c1)C(=O)C(c1ccccc1)CO2 |
|---|
| InChI Key | QYYCFHMBOXWBKD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | isoflavans |
|---|
| Direct Parent | isoflavanones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativescarboxylic acidschromoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | monocyclic benzene moietyethercarboxylic acidaryl alkyl ketone1-benzopyranalkyl aryl ethercarboxylic acid derivativeisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
