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CHEBI:186615 - Acidissiminol

ChEBI IDCHEBI:186615
ChEBI NameAcidissiminol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO3
Net Charge0
Average Mass393.527
Monoisotopic Mass393.23039
SMILESCC(C)=CCC(O)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H31NO3/c1-19(2)9-14-24(27)20(3)16-18-29-23-12-10-21(11-13-23)15-17-26-25(28)22-7-5-4-6-8-22/h4-13,16,24,27H,14-15,17-18H2,1-3H3,(H,26,28)/b20-16+
InChIKeyFDTDKBQVKSHHIE-CAPFRKAQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Acidissiminol (CHEBI:186615) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
N-[2-[4-[(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]phenyl]ethyl]benzamide
Manual XrefsDatabases
HMDB0038618HMDB
35014616ChemSpider