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CHEBI:66715 - Pacificin K(rel)

ChEBI IDCHEBI:66715
ChEBI NamePacificin K(rel)
Stars
DefinitionA natural product found in Nephthea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILES[H][C@]12C[C@]1([H])[C@@](C)(CCC=C(C)C)CC/C(C)=C/[C@H](OC(C)=O)C[C@]2(C)O
InChIInChI=1S/C22H36O3/c1-15(2)8-7-10-21(5)11-9-16(3)12-18(25-17(4)23)14-22(6,24)20-13-19(20)21/h8,12,18-20,24H,7,9-11,13-14H2,1-6H3/b16-12+/t18-,19-,20-,21-,22-/m0/s1
InChIKeyLQNQQEXNXLBURL-WTDFRTEQSA-N
Species of MetaboliteComponentSourceComments
Nephthea elongata (WORMS:288668) - PubMed (17541187)
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)
Pacificin K(rel) (CHEBI:66715) has role metabolite (CHEBI:25212)
Pacificin K(rel) (CHEBI:66715) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
rel-(1S,2S,4R,9S,10S)-2-Hydroxy-2,6,9-trimethyl-9-(4-methyl-3-penten-1-yl)bicyclo[8.1.0]undec-5-en-4-ylacetateChEBI
Citations