CHEBI:66715 - Pacificin K(rel)

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ChEBI Name Pacificin K(rel)
ChEBI ID CHEBI:66715
Definition A natural product found in Nephthea elongata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H36O3
Net Charge 0
Average Mass 348.51940
Monoisotopic Mass 348.26645
InChI InChI=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
InChIKey LQNQQEXNXLBURL-WTDFRTEQSA-N
SMILES [H][C@]12C[C@]1([H])[C@@](C)(CCC=C(C)C)CC\C(C)=C\[C@@H](C[C@]2(C)O)OC(C)=O
Metabolite of Species Details
Nephthea elongata (WORMS:288668) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-ylacetate ChEBI
Citation Waiting for Citations Type Source
17541187 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);