| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:14 UTC |
|---|
| Update Date | 2025-03-21 17:57:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006685 |
|---|
| Frequency | 767.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O2 |
|---|
| Molecular Mass | 148.0524 |
|---|
| SMILES | O=CC(=O)Cc1ccccc1 |
|---|
| InChI Key | OFMBSIAKTAZWIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha ketoaldehydeshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundaldehydehydrocarbon derivativealpha-ketoaldehydeorganooxygen compound |
|---|
