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CHEBI:183832 - Phenethyl glucosinolate

ChEBI IDCHEBI:183832
ChEBI NamePhenethyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO9S2
Net Charge0
Average Mass423.465
Monoisotopic Mass423.06577
SMILESO=S(=O)(O)O/N=C(\CCc1ccccc1)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+
InChIKeyCKIJIGYDFNXSET-LFIBNONCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
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)
Phenethyl glucosinolate (CHEBI:183832) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulooxypropanimidothioate
Manual XrefsDatabases
HMDB0038423HMDB
35014579ChemSpider