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CHEBI:6144 - Kolanone

ChEBI IDCHEBI:6144
ChEBI NameKolanone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H42O4
Net Charge0
Average Mass502.695
Monoisotopic Mass502.30831
SMILESCC(C)=CCC/C(C)=C/C[C@@]1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(O)C(CC=C(C)C)=C1O
InChIInChI=1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,35-36H,11,13,17,20-21H2,1-7H3/b25-19+/t33-/m1/s1
InChIKeyQRKXZTBPUWMKHJ-BAWJEBPFSA-N
ChEBI Ontology
Outgoing Relation(s)
Kolanone (CHEBI:6144) is a monoterpenoid (CHEBI:25409)
Synonym  Source
KolanoneKEGG COMPOUND
Manual XrefsDatabases
C09948KEGG COMPOUND
C00003001KNApSAcK
Registry NumbersSources
CAS:81827-55-6KEGG COMPOUND