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CHEBI:69950 - (1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene

ChEBI IDCHEBI:69950
ChEBI Name(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
Stars
DefinitionA natural product found in Dilophus spiralis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CC[C@]3(C)O[C@@]3([H])CC/C(C)=C/C[C@@]1(C)C(=O)C[C@@H]2C(=C)C
InChIInChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8+/t15-,16+,18+,19-,20+/m1/s1
InChIKeyBGCBFCPMURPDPJ-DKMZEYLLSA-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,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene (CHEBI:69950) has role metabolite (CHEBI:25212)
(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene (CHEBI:69950) is a diterpenoid (CHEBI:23849)
Citations