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CHEBI:69946 - (1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene

ChEBI IDCHEBI:69946
ChEBI Name(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene
Stars
DefinitionA natural product found in Dilophus spiralis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O2
Net Charge0
Average Mass330.512
Monoisotopic Mass330.25588
SMILES[H][C@@]12CC/C(C)=C/CC/C(C)=C/C[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]2C(=C)C
InChIInChI=1S/C22H34O2/c1-15(2)19-14-21(24-18(5)23)22(6)13-12-17(4)9-7-8-16(3)10-11-20(19)22/h8,12,19-21H,1,7,9-11,13-14H2,2-6H3/b16-8+,17-12+/t19-,20+,21+,22-/m1/s1
InChIKeyAJUISUYGDAPGKA-KMXMIPMLSA-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,14S)-14-Acetoxy-3,7,18-dolabellatriene (CHEBI:69946) has role metabolite (CHEBI:25212)
(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene (CHEBI:69946) is a diterpenoid (CHEBI:23849)
Citations