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CHEBI:191822 - 3-Phenylpropyl glucosinolate

ChEBI IDCHEBI:191822
ChEBI Name3-Phenylpropyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO9S2
Net Charge0
Average Mass437.492
Monoisotopic Mass437.08142
SMILESO=S(=O)(O)O/N=C(\CCCc1ccccc1)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H23NO9S2/c18-9-11-13(19)14(20)15(21)16(25-11)27-12(17-26-28(22,23)24)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13-16,18-21H,4,7-9H2,(H,22,23,24)/b17-12+
InChIKeyAAVHHGNQWFTUKS-SFQUDFHCSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
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-Phenylpropyl glucosinolate (CHEBI:191822) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-phenyl-N-sulooxybutanimidothioate
Manual XrefsDatabases
35014578ChemSpider
HMDB0038422HMDB