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CHEBI:176282 - Acidissiminin

ChEBI IDCHEBI:176282
ChEBI NameAcidissiminin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H65NO4
Net Charge0
Average Mass659.996
Monoisotopic Mass659.49136
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+
InChIKeyAKRJIIVORCSJLA-LAWMERGMSA-N
ChEBI Ontology
Outgoing Relation(s)
Acidissiminin (CHEBI:176282) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethylocta-2,6-dien-4-yl] octadecanoate
Manual XrefsDatabases
HMDB0038619HMDB
4946792ChemSpider
Registry NumbersSources
CAS:126005-91-2ChemIDplus