| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:05:34 UTC |
|---|
| Update Date | 2025-03-24 14:11:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00783911 |
|---|
| Frequency | 1.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8 |
|---|
| Molecular Mass | 116.0626 |
|---|
| SMILES | C#Cc1ccccc1C |
|---|
| InChI Key | MYBSUWNEMXUTAX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetylenesacetylidesunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aromatic homomonocyclic compoundacetylideunsaturated aliphatic hydrocarbontoluenehydrocarbonunsaturated hydrocarbonacetylene |
|---|
