| ID | C0122  |
| Compound name | Isohexylglucosinolate |
| Stereochemistry | - |
| Aracyc name | - |
| External link | - |
| Mass information |
1st experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode) 2nd experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode) |
| Molecular Formula | C13H24NO9S2- |
| Canonical SMILES | CC(C)CCC€C(=N/O[S](=O)(=O)[O-])€SC1OC(CO)C(O)C(O)C1O |
| Molecular Weight | 402.46 |
| Pathway Information | - |
| CAS ID | - |
| Synonym | - |
| External ID | - |
information