ID C0044  
Compound name 7-Methylsulfinyl-n-heptylglucosinolate
Stereochemistry -
Aracyc name 7-Methylsulfinylheptyl glucosinolate
External link   http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-295
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 H28N1O10S3C15
Canonical SMILES C(=NOS(=O)(=O)[O-])(SC1(C(O)C(O)C(O)C(CO)O1))CCCCCCCS(=O)C
Molecular Weight 479.575
Pathway Information glucosinolate biosynthesis from pentahomomethionine
CAS ID 112572-51-7
Synonym glucoibarin; β-D-glucopyranose, 1-thio-, 1-[8-(methylsulfinyl)-N-(sulfooxy)octanimidate]
External ID PUBCHEM:44237203, KNAPSACK:C00007352