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CHEBI:230991 - [12]-Shogaol

ChEBI IDCHEBI:230991
ChEBI Name[12]-Shogaol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O3
Net Charge0
Average Mass360.538
Monoisotopic Mass360.26645
SMILESCCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
InChIKeyWCQFXNQALHURHS-BUHFOSPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
[12]-Shogaol (CHEBI:230991) is a enone (CHEBI:51689)
[12]-Shogaol (CHEBI:230991) is a monomethoxybenzene (CHEBI:25235)
[12]-Shogaol (CHEBI:230991) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-1-(4-hydroxy-3-methoxyphenyl)hexadec-4-en-3-one
Manual XrefsDatabases
8151405ChemSpider
HMDB0302124HMDB