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> Main
CHEBI:68410 - plakortolide M
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ChEBI Name
plakortolide M
ChEBI ID
CHEBI:68410
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.
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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-
/m1/s1
InChIKey
QRPPIDRCLPPPDS-DMTNHVFBSA-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 M (
CHEBI:68410
)
has role
metabolite (
CHEBI:25212
)
plakortolide M (
CHEBI:68410
)
is a
γ-lactone (
CHEBI:37581
)
plakortolide M (
CHEBI:68410
)
is a
organic heterobicyclic compound (
CHEBI:27171
)
plakortolide M (
CHEBI:68410
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(3
S
,4a
R
,7a
R
)-
3-
[12-
(4-
hydroxyphenyl)dodecyl]-
3,4a-
dimethyltetrahydrofuro[3,2-
c
][1,2]dioxin-
6(3
H
)-
one
Registry Number
Type
Source
21309209
Reaxys Registry Number
Reaxys
Citation
Type
Source
21261297
PubMed citation
Europe PMC
Last Modified
26 September 2013