EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66713 - Pacificin C(rel)

ChEBI IDCHEBI:66713
ChEBI NamePacificin C(rel)
Stars
DefinitionA natural product found in Nephthea pacifica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILES[H][C@]12C[C@]1([H])[C@@](C)(C/C=C/C(C)(C)OO)CC[C@]1(C)O[C@@]1([H])CC[C@]2(C)O
InChIInChI=1S/C20H34O4/c1-17(2,24-22)8-6-9-18(3)11-12-20(5)16(23-20)7-10-19(4,21)15-13-14(15)18/h6,8,14-16,21-22H,7,9-13H2,1-5H3/b8-6+/t14-,15-,16-,18-,19-,20-/m0/s1
InChIKeyQVXHUQXNTXETOI-IMMUYQCLSA-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 C(rel) (CHEBI:66713) has role metabolite (CHEBI:25212)
Pacificin C(rel) (CHEBI:66713) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
rel-(1S,2S,5S,7S,10R,11S)-10-[4-Hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-olChEBI
Citations