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CHEBI:80986 - 4-(methylthio)butyldesulfoglucosinolate

ChEBI IDCHEBI:80986
ChEBI Name4-(methylthio)butyldesulfoglucosinolate
Stars
Last Modified3 May 2017
DownloadsMolfile
FormulaC12H23NO6S2
Net Charge0
Average Mass341.451
Monoisotopic Mass341.09668
SMILESCSCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+/t7-,9-,10+,11-,12+/m1/s1
InChIKeyWILLOUKDISBKTQ-KALKGZTMSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(methylthio)butyldesulfoglucosinolate (CHEBI:80986) is a S-glycosyl compound (CHEBI:35275)
Synonyms  Source
4-Methylthiobutyl-desulfoglucosinolateChEBI
DesulfoglucoerucinChEBI
Manual XrefsDatabases
C17248KEGG COMPOUND