化合物信息
| 名称 | 内容 |
|---|---|
| kegg编号 | C07215 |
| pubchemid | 9424 |
| name | o-Toluate |
| formula | C8H8O2 |
| structure |  |
| Isomeric_Smiles | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-] |
| Cannoical_Smiles | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-] |
| Gotenzyme_Smiles | Cc1ccccc1C(=O)O |