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CHEBI:145996 - 4-benzoyloxybutyl glucosinolate

ChEBI IDCHEBI:145996
ChEBI Name4-benzoyloxybutyl glucosinolate
Stars
Last Modified7 March 2024
Submittermwilliams
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FormulaC18H24NO11S2
Net Charge-1
Average Mass494.520
Monoisotopic Mass494.07963
SMILESO=C(OCCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/p-1/b19-13+/t12-,14-,15+,16-,18+/m1/s1
InChIKeyIEVWTBIZULGLHA-XKYBNXMZSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4-benzoyloxybutyl glucosinolate (CHEBI:145996) is a glucosinolate (CHEBI:24279)