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CHEBI:80998 - Glucohirsutin

ChEBI IDCHEBI:80998
ChEBI NameGlucohirsutin
Stars
Last Modified29 January 2018
DownloadsMolfile
FormulaC16H31NO10S3
Net Charge0
Average Mass493.622
Monoisotopic Mass493.11101
SMILESCS(=O)CCCCCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/b17-12-/t11-,13-,14+,15-,16+,29?/m1/s1
InChIKeyGPMDJOOLATZDQL-OTNWBXTQSA-N
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)
Glucohirsutin (CHEBI:80998) is a glucosinolic acid (CHEBI:79316)
Glucohirsutin (CHEBI:80998) is a sulfoxide (CHEBI:22063)
Synonyms  Source
8-Methylsulfinyloctyl glucosinolateKEGG COMPOUND
8-MethylsulfinyloctylGSChEBI
Manual XrefsDatabases
C17271KEGG COMPOUND