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CHEBI:5920 - Ineketone

ChEBI IDCHEBI:5920
ChEBI NameIneketone
Stars
Last Modified20 May 2016
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@@]12CCCC(C)(C)[C@@]1(O)CC(=O)C1=C[C@](C)(C=C)C[C@H](O)[C@]12C
InChIInChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1
InChIKeyBWRPYSJNBVBIRP-FLFBIERCSA-N
ChEBI Ontology
Outgoing Relation(s)
Ineketone (CHEBI:5920) is a tricyclic diterpenoid (CHEBI:79084)
Synonym  Source
IneketoneKEGG COMPOUND
Manual XrefsDatabases
C09110KEGG COMPOUND
C00003437KNApSAcK
HMDB0036698HMDB
Registry NumbersSources
CAS:62574-18-9KEGG COMPOUND