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CHEBI:69955 - rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene

ChEBI IDCHEBI:69955
ChEBI Namerel-(1R,2E,4R,7E,11S,12R)-2,7,18-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@@H](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/h7,11,13,17-19H,1,6,8-10,12,14H2,2-5H3/b13-11+,16-7+/t17-,18+,19+,20+/m1/s1
InChIKeyDQSHCYDPVQKJSC-IAGGUBJBSA-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)
rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene (CHEBI:69955) has role metabolite (CHEBI:25212)
rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene (CHEBI:69955) is a diterpenoid (CHEBI:23849)
Citations