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 |