| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:25 UTC |
|---|
| Update Date | 2025-03-25 00:56:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220857 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6O4 |
|---|
| Molecular Mass | 178.0266 |
|---|
| SMILES | O=C1CCC(=O)c2oc(=O)ccc21 |
|---|
| InChI Key | LCLXIZKKOJRXBY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | aryl alkyl ketoneheteroaromatic compoundlactoneoxacycleorganic oxidearomatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativeorganoheterocyclic compound |
|---|
