| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:48:03 UTC |
|---|
| Update Date | 2025-03-21 18:50:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00176591 |
|---|
| Frequency | 13.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N |
|---|
| Molecular Mass | 135.1048 |
|---|
| SMILES | Cc1ccc(C)c(CN)c1 |
|---|
| InChI Key | LUJNPFWZXIGIPS-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 | hydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aromatic homomonocyclic compoundp-xyleneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
|---|
