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CHEBI:66714 - Pacificin H(rel)

ChEBI IDCHEBI:66714
ChEBI NamePacificin H(rel)
Stars
DefinitionA natural product found in Nephthea pacifica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H36O5
Net Charge0
Average Mass380.525
Monoisotopic Mass380.25627
SMILES[H][C@]12C[C@]1([H])[C@@](C)(CCC(OO)C(=C)C)CC/C(C)=C/[C@H](OC(C)=O)C[C@]2(C)O
InChIInChI=1S/C22H36O5/c1-14(2)20(27-25)8-10-21(5)9-7-15(3)11-17(26-16(4)23)13-22(6,24)19-12-18(19)21/h11,17-20,24-25H,1,7-10,12-13H2,2-6H3/b15-11+/t17-,18-,19-,20?,21+,22-/m0/s1
InChIKeyFAXDRDJWQDFFGZ-XVDZUCNCSA-N
Species of MetaboliteComponentSourceComments
Nephthea pacifica (WORMS:288680) - PubMed (15679321)
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 H(rel) (CHEBI:66714) has role metabolite (CHEBI:25212)
Pacificin H(rel) (CHEBI:66714) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
rel-(1S,2S,4R,9R,10S)-9-(3-Hydroperoxy-4-methyl-4-penten-1-yl)-2-hydroxy-2,6,9-trimethylbicyclo[8.1.0]undec-5-en-4-ylacetateChEBI
Citations