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CHEBI:145995 - 3-benzoyloxypropyl glucosinolate

ChEBI IDCHEBI:145995
ChEBI Name3-benzoyloxypropyl glucosinolate
Stars
Last Modified7 March 2024
Submittermwilliams
DownloadsMolfile
FormulaC17H22NO11S2
Net Charge-1
Average Mass480.493
Monoisotopic Mass480.06398
SMILESO=C(OCCC/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/C17H23NO11S2/c19-9-11-13(20)14(21)15(22)17(28-11)30-12(18-29-31(24,25)26)7-4-8-27-16(23)10-5-2-1-3-6-10/h1-3,5-6,11,13-15,17,19-22H,4,7-9H2,(H,24,25,26)/p-1/b18-12+/t11-,13-,14+,15-,17+/m1/s1
InChIKeyCGAALQATDWOQFD-DLRNHMSSSA-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)
3-benzoyloxypropyl glucosinolate (CHEBI:145995) is a glucosinolate (CHEBI:24279)