CHEBI:3885 - Cornudentanone

ChEBI IDCHEBI:3885
ChEBI NameCornudentanone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
InChIInChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3
InChIKeyJIUGZSYPFREDLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cornudentanone (CHEBI:3885) is a carboxylic ester (CHEBI:33308)
Synonym  Source
CornudentanoneKEGG COMPOUND
Manual XrefsDatabases
C00002810KNApSAcK
C10320KEGG COMPOUND
Registry NumbersSources
CAS:110979-06-1KEGG COMPOUND