EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:144946 - 13-keto-1,11-dolabell-3(E),7(E),12(18)-triene

ChEBI IDCHEBI:144946
ChEBI Name13-keto-1,11-dolabell-3(E),7(E),12(18)-triene
Stars
Last Modified25 September 2019
Submittermwilliams
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILESCC(C)=C1C(=O)CC2(C)C/C=C(\C)CC/C=C(\C)CCC12
InChIInChI=1S/C20H30O/c1-14(2)19-17-10-9-15(3)7-6-8-16(4)11-12-20(17,5)13-18(19)21/h7,11,17H,6,8-10,12-13H2,1-5H3/b15-7+,16-11+
InChIKeyYETBHHZORHIONL-MNBXHXLRSA-N
Species of MetaboliteComponentSourceComments
Eunicea calyculata (ncbitaxon:1695233) Whole Organism (NCIT:C13413) DOI (10.1021/jo00142a024)
ChEBI Ontology
Outgoing Relation(s)
13-keto-1,11-dolabell-3(E),7(E),12(18)-triene (CHEBI:144946) is a dolabellane diterpenoid (CHEBI:144945)
IUPAC Name 
(6E,10E)-6,10,12a-trimethyl-3-(propan-2-ylidene)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-2(1H)-one