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CHEBI:68421 - plakortone N

ChEBI IDCHEBI:68421
ChEBI Nameplakortone N
Stars
DefinitionAn organic heterobicyclic compound consisting of a γ-lactone ring fused onto a substituted tetrahydrofuran ring. It is isolated from the Australian marine sponge Plakinastrella clathrata.
Last Modified26 September 2013
DownloadsMolfile
FormulaC26H40O4
Net Charge0
Average Mass416.602
Monoisotopic Mass416.29266
SMILES[H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)O2
InChIInChI=1S/C26H40O4/c1-25(20-26(2)23(29-25)19-24(28)30-26)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
InChIKeyAVPPXTVRSKQLNJ-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)
plakortone N (CHEBI:68421) has role metabolite (CHEBI:25212)
plakortone N (CHEBI:68421) is a organic heterobicyclic compound (CHEBI:27171)
plakortone N (CHEBI:68421) is a phenols (CHEBI:33853)
plakortone N (CHEBI:68421) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aS,5S,6aS)-5-[12-(4-hydroxyphenyl)dodecyl]-5,6a-dimethyltetrahydrofuro[3,2-b]furan-2(3H)-one
Registry NumbersSources
Reaxys:21309212Reaxys
Citations