| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203659 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O3 |
|---|
| Molecular Mass | 216.0786 |
|---|
| SMILES | O=C(O)CCC1=CC(=O)Cc2ccccc21 |
|---|
| InChI Key | QUEKHRYSHOROFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundcyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
