| ID | C0048  |
| Compound name | 8-Methylsulfinyl-n-octylglucosinolate |
| Stereochemistry | - |
| Aracyc name | 8-Methylsulfinyloctyl glucosinolate |
| External link |
 http://pmn.plantcyc.org/ARA/NEW-IMAGE?type=COMPOUND&object=CPDQT-299
|
| Mass information |
1st experiment : compound_URL_list_20130127_edit.txtLC-Q-TOF/MS (Negative ion mode) 2nd experiment : LC-Q-TOF/MS (Positive ion mode) |
| Molecular Formula | H30N1O10S3C16 |
| Canonical SMILES | C(=NOS(=O)(=O)[O-])(SC1(C(O)C(O)C(O)C(CO)O1))CCCCCCCCS(=O)C |
| Molecular Weight | 493.602 |
| Pathway Information | glucosinolate biosynthesis from hexahomomethionine |
| CAS ID | 21973-60-4 |
| Synonym | glucohirsutin; β-D-glucopyranose, 1-thio-, 1-[9-(methylsulfinyl)-N-(sulfooxy)nonanimidate]; glucopyranose, 1-thio-, 1-[9-(methylsulfinyl)nonanohydroximate] NO-(hydrogen sulfate), β-D- |
| External ID | PUBCHEM:44237257, KNAPSACK:C00007355 |
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