| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208226 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17Cl |
|---|
| Molecular Mass | 196.1019 |
|---|
| SMILES | CC(C)c1cccc(C(C)(C)Cl)c1 |
|---|
| InChI Key | JLXSXLCMZQZKCS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cumenes |
|---|
| Direct Parent | cumenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl chlorideshydrocarbon derivativesorganochloridesphenylpropanes |
|---|
| Substituents | phenylpropanearomatic homomonocyclic compoundalkyl chlorideorganochloridealkyl halidecumenehydrocarbon derivativeorganohalogen compound |
|---|
