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CHEBI:145997 - 5-benzoyloxypentyl glucosinolate

ChEBI IDCHEBI:145997
ChEBI Name5-benzoyloxypentyl glucosinolate
Stars
Last Modified7 March 2024
Submittermwilliams
DownloadsMolfile
FormulaC19H26NO11S2
Net Charge-1
Average Mass508.547
Monoisotopic Mass508.09528
SMILESO=C(OCCCCC/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/C19H27NO11S2/c21-11-13-15(22)16(23)17(24)19(30-13)32-14(20-31-33(26,27)28)9-5-2-6-10-29-18(25)12-7-3-1-4-8-12/h1,3-4,7-8,13,15-17,19,21-24H,2,5-6,9-11H2,(H,26,27,28)/p-1/b20-14+/t13-,15-,16+,17-,19+/m1/s1
InChIKeyLGEQIQASZQVYEB-CLHCNKLFSA-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)
5-benzoyloxypentyl glucosinolate (CHEBI:145997) is a glucosinolate (CHEBI:24279)