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CHEBI:69949 - (1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene

ChEBI IDCHEBI:69949
ChEBI Name(1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene
Stars
DefinitionA natural product found in Dilophus spiralis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILES[H][C@@]12CC/C(C)=C/CC[C@]3(C)O[C@@]3([H])C[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]2C(=C)C
InChIInChI=1S/C22H34O3/c1-14(2)17-12-19(24-16(4)23)21(5)13-20-22(6,25-20)11-7-8-15(3)9-10-18(17)21/h8,17-20H,1,7,9-13H2,2-6H3/b15-8+/t17-,18+,19+,20+,21-,22+/m1/s1
InChIKeyUVAWBGLQQAGQHW-SKMPXITJSA-N
Species of MetaboliteComponentSourceComments
Dilophus spiralis (ncbitaxon:499621) - PubMed (21190330) Dichloromethane and methanol 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,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene (CHEBI:69949) has role metabolite (CHEBI:25212)
(1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene (CHEBI:69949) is a carboxylic ester (CHEBI:33308)
Citations