ID C0122  
Compound name Isohexylglucosinolate
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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
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