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CHEBI:192883 - [10]-Shogaol

ChEBI IDCHEBI:192883
ChEBI Name[10]-Shogaol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+
InChIKeyFADFGCOCHHNRHF-VAWYXSNFSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
[10]-Shogaol (CHEBI:192883) is a enone (CHEBI:51689)
[10]-Shogaol (CHEBI:192883) is a monomethoxybenzene (CHEBI:25235)
[10]-Shogaol (CHEBI:192883) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one
Manual XrefsDatabases
4946680ChemSpider
HMDB0031462HMDB
Registry NumbersSources
CAS:36752-54-2ChemIDplus