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CHEBI:80985 - 3-Methylthiopropyl-desulfoglucosinolate

ChEBI IDCHEBI:80985
ChEBI Name3-Methylthiopropyl-desulfoglucosinolate
Stars
Last Modified3 May 2017
DownloadsMolfile
FormulaC11H21NO6S2
Net Charge0
Average Mass327.424
Monoisotopic Mass327.08103
SMILESCSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKeyOYTRJEKRRFSKHF-IIPHORNXSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methylthiopropyl-desulfoglucosinolate (CHEBI:80985) is a S-glycosyl compound (CHEBI:35275)
Synonym  Source
DesulfoglucoibervirinChEBI
Manual XrefsDatabases
C17244KEGG COMPOUND