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CHEBI:186324 - Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate

ChEBI IDCHEBI:186324
ChEBI NameMethyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35BrO2
Net Charge0
Average Mass423.435
Monoisotopic Mass422.18204
SMILESCOC(=O)CCC[C@H]1C[C@@H]1C(C)/C=C/C=C(/C)CCCC(C)CC#CBr
InChIInChI=1S/C23H35BrO2/c1-18(9-5-10-19(2)12-8-16-24)11-6-13-20(3)22-17-21(22)14-7-15-23(25)26-4/h6,11,13,19-22H,5,7,9-10,12,14-15,17H2,1-4H3/b13-6+,18-11-/t19?,20?,21-,22+/m0/s1
InChIKeyQKSQHUJBUPFKLU-FVVIKQHTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Methyl 18-bromo-5,6-trans-endomethylene-7,11,15-trimethyl-8E,10Z-octadecadien-17-ynoate (CHEBI:186324) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 4-[(1S,2S)-2-[(3E,5Z)-13-bromo-6,10-dimethyltrideca-3,5-dien-12-yn-2-yl]cyclopropyl]butanoate
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