ID C0041  
Compound name 6-Methylthio-n-hexylglucosinolate
Stereochemistry -
Aracyc name 6-Methylthiohexylglucosinolate
External link   http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-420
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 H26N1S3C14O9
Canonical SMILES C(CCCCCCSC)(=NOS(=O)([O-])=O)SC1(OC(O)C(O)C(O)C(CO)1)
Molecular Weight 449.549
Pathway Information glucosinolate biosynthesis from tetrahomomethionine
CAS ID 74542-17-9
Synonym glucolesquerellin; 1-thio-b-glucopyranose 1-[7-(methylthio)-N-(sulfooxy)heptanimidate], 9CI
External ID PUBCHEM:44237118