CHEBI:68411 - plakortolide N

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ChEBI Name plakortolide N
ChEBI ID CHEBI:68411
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 C26H40O5
Net Charge 0
Average Mass 432.59280
Monoisotopic Mass 432.28757
InChI InChI=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
InChIKey QRPPIDRCLPPPDS-RNXOBYDBSA-N
SMILES [H][C@]12CC(=O)O[C@@]1(C)C[C@](C)(CCCCCCCCCCCCc1ccc(O)cc1)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 N (CHEBI:68411) has role metabolite (CHEBI:25212)
plakortolide N (CHEBI:68411) is a γ-lactone (CHEBI:37581)
plakortolide N (CHEBI:68411) is a organic heterobicyclic compound (CHEBI:27171)
plakortolide N (CHEBI:68411) is a phenols (CHEBI:33853)
IUPAC Name
(3S,4aS,7aS)-3-[12-(4-hydroxyphenyl)dodecyl]-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one
Registry Number Type Source
21309210 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
26 September 2013