EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69944 - (1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene

ChEBI IDCHEBI:69944
ChEBI Name(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
Stars
DefinitionA natural product found in Dilophus spiralis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12CC/C(C)=C/CC/C(C)=C/C[C@@]1(C)CC[C@@H]2C(=C)C
InChIInChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1
InChIKeyKZHMFCYCMBPVGZ-JFZLUAFOSA-N
Species of MetaboliteComponentSourceComments
Dilophus spiralis (ncbitaxon:499621) - PubMed (21190330) Dichloromethane extract of freeze-dried alga
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene (CHEBI:69944) has role metabolite (CHEBI:25212)
(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene (CHEBI:69944) is a diterpenoid (CHEBI:23849)
Citations