CHEBI:68408 - plakortolide K

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ChEBI Name plakortolide K
ChEBI ID CHEBI:68408
Definition An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H40O4
Net Charge 0
Average Mass 416.59340
Monoisotopic Mass 416.29266
InChI InChI=1S/C26H40O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,23H,3-10,12,15-16,19-21H2,1-2H3/t23-,25+,26-/m1/s1
InChIKey CEXBAUGPNZWHBZ-DMTNHVFBSA-N
SMILES [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccccc1)OO2
Metabolite of Species Details
Plakinastrella clathrata (WORMS:169753) CH2Cl2/MeOH (1:1) extract of diced specimen See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing plakortolide K (CHEBI:68408) has role metabolite (CHEBI:25212)
plakortolide K (CHEBI:68408) is a γ-lactone (CHEBI:37581)
plakortolide K (CHEBI:68408) is a organic heterobicyclic compound (CHEBI:27171)
IUPAC Name
(3S,4aR,7aR)-3,4a-dimethyl-3-(12-phenyldodecyl)tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Registry Number Type Source
21309205 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
26 September 2013