| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:24 UTC |
|---|
| Update Date | 2025-03-25 00:58:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234226 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O2 |
|---|
| Molecular Mass | 206.1307 |
|---|
| SMILES | Cc1cc(C)cc(CCC(C)C(=O)O)c1 |
|---|
| InChI Key | MPKLMEPMHPNQFJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | xylenes |
|---|
| Direct Parent | m-xylenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidm-xylenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
