| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:26 UTC |
|---|
| Update Date | 2025-03-21 18:39:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125704 |
|---|
| Frequency | 20.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O4 |
|---|
| Molecular Mass | 180.0423 |
|---|
| SMILES | O=C(O)C1Cc2cccc(O)c2O1 |
|---|
| InChI Key | MOURMQDVOIWGOG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | coumarans |
|---|
| Subclass | coumarans |
|---|
| Direct Parent | coumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
|---|
