| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:07 UTC |
|---|
| Update Date | 2025-03-21 18:34:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100768 |
|---|
| Frequency | 27.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18 |
|---|
| Molecular Mass | 162.1409 |
|---|
| SMILES | Cc1cc(C)cc(CC(C)C)c1 |
|---|
| InChI Key | PNSJTHITWUNZIL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | saturated hydrocarbonsm-xylenes |
|---|
| Substituents | phenylpropanearomatic homomonocyclic compoundxylenesaturated hydrocarbonm-xylenehydrocarbon |
|---|
