| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:51 UTC |
|---|
| Update Date | 2025-03-21 17:57:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00008119 |
|---|
| Frequency | 608.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O |
|---|
| Molecular Mass | 174.1045 |
|---|
| SMILES | C=CC(=O)Cc1cc(C)ccc1C |
|---|
| InChI Key | PVGXUPPATBVQSZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | xylenes |
|---|
| Direct Parent | p-xylenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | carbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxidep-xyleneorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
