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CHEBI:68416 - plakortolide S

ChEBI IDCHEBI:68416
ChEBI Nameplakortolide S
Stars
DefinitionAn organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Last Modified26 September 2013
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILES[H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCCCc1ccc(O)cc1)OO2
InChIInChI=1S/C24H36O5/c1-23(18-24(2)21(28-29-23)17-22(26)27-24)16-10-8-6-4-3-5-7-9-11-19-12-14-20(25)15-13-19/h12-15,21,25H,3-11,16-18H2,1-2H3/t21-,23+,24-/m1/s1
InChIKeyHTLXDQKFQAWFHV-YFNKSVMNSA-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 S (CHEBI:68416) has role metabolite (CHEBI:25212)
plakortolide S (CHEBI:68416) is a organic heterobicyclic compound (CHEBI:27171)
plakortolide S (CHEBI:68416) is a phenols (CHEBI:33853)
plakortolide S (CHEBI:68416) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S,4aR,7aR)-3-[10-(4-hydroxyphenyl)decyl]-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Registry NumbersSources
Reaxys:21309202Reaxys
Citations