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CHEBI:68411 - plakortolide N

ChEBI IDCHEBI:68411
ChEBI Nameplakortolide N
Stars
DefinitionAn organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Last Modified26 September 2013
DownloadsMolfile
FormulaC26H40O5
Net Charge0
Average Mass432.601
Monoisotopic Mass432.28757
SMILES[H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)OO2
InChIInChI=1S/C26H40O5/c1-25(20-26(2)23(30-31-25)19-24(28)29-26)18-12-10-8-6-4-3-5-7-9-11-13-21-14-16-22(27)17-15-21/h14-17,23,27H,3-13,18-20H2,1-2H3/t23-,25-,26-/m0/s1
InChIKeyQRPPIDRCLPPPDS-RNXOBYDBSA-N
Species of MetaboliteComponentSourceComments
Plakinastrella clathrata (WORMS:169753) - PubMed (21261297) CH2Cl2/MeOH (1:1) extract of diced specimen
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)
plakortolide N (CHEBI:68411) has role metabolite (CHEBI:25212)
plakortolide N (CHEBI:68411) is a organic heterobicyclic compound (CHEBI:27171)
plakortolide N (CHEBI:68411) is a phenols (CHEBI:33853)
plakortolide N (CHEBI:68411) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,4aS,7aS)-3-[12-(4-hydroxyphenyl)dodecyl]-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Registry NumbersSources
Reaxys:21309210Reaxys
Citations