| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:34 UTC |
|---|
| Update Date | 2025-03-25 00:47:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161449 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H14 |
|---|
| Molecular Mass | 170.1096 |
|---|
| SMILES | C=CC=CC(=CC)c1ccccc1 |
|---|
| InChI Key | QKNBIZHZXAVVAS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | branched unsaturated hydrocarbonscyclic olefinsunsaturated aliphatic hydrocarbons |
|---|
| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycyclic olefinbranched unsaturated hydrocarbonunsaturated aliphatic hydrocarbonolefinhydrocarbonunsaturated hydrocarbon |
|---|
