EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229110 - Ent-17-Norkauran-16-one

Default Structure
ChEBI IDCHEBI:229110
ChEBI NameEnt-17-Norkauran-16-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O
Net Charge0
Average Mass274.448
Monoisotopic Mass274.22967
SMILES[H][C@@]12CC[C@@]3([H])[C@](CC[C@@]4([H])C(C)(C)CCC[C@]34C)(CC1=O)C2
InChIInChI=1S/C19H30O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-13(14(20)12-19)5-6-16(18)19/h13,15-16H,4-12H2,1-3H3/t13-,15-,16+,18-,19-/m0/s1
InChIKeyJJFSSTSAIZSCOF-DRACIFKTSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Ent-17-Norkauran-16-one (CHEBI:229110) is a ketone (CHEBI:17087)
IUPAC Name 
(1S,4S,9S,10S,13S)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one