EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66716 - Pacificin L(rel)

ChEBI IDCHEBI:66716
ChEBI NamePacificin L(rel)
Stars
DefinitionA natural product found in Nephthea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILES[H][C@]12C[C@]1([H])[C@@](C)(CCC1OC1(C)C)CC[C@]1(C)O[C@@]1([H])CC[C@]2(C)O
InChIInChI=1S/C20H34O3/c1-17(2)15(22-17)6-8-18(3)10-11-20(5)16(23-20)7-9-19(4,21)14-12-13(14)18/h13-16,21H,6-12H2,1-5H3/t13-,14-,15?,16-,18-,19-,20-/m0/s1
InChIKeyMCWVOWAWZDPFLF-VONCVDJPSA-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 L(rel) (CHEBI:66716) has role metabolite (CHEBI:25212)
Pacificin L(rel) (CHEBI:66716) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
rel-(1S,2S,5S,7S,10S,11S)-10-[2-(3,3-Dimethyl-2-oxiranyl)ethyl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-olChEBI
Citations