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CHEBI:68412 - plakortolide O
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ChEBI Name
plakortolide O
ChEBI ID
CHEBI:68412
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
C26H36O4
Net Charge
0
Average Mass
412.56160
Monoisotopic Mass
412.26136
InChI
InChI=1S/C26H36O4/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/h7,9,11-
14,16-
18,23H,3-
6,8,10,15,19-
21H2,1-
2H3/b9-
7+,16-
12+/t23-
,25+,26-
/m1/s1
InChIKey
KEKDEOVVWKTZKA-XRXSLGMHSA-N
SMILES
[H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)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 O (
CHEBI:68412
)
has role
metabolite (
CHEBI:25212
)
plakortolide O (
CHEBI:68412
)
is a
γ-lactone (
CHEBI:37581
)
plakortolide O (
CHEBI:68412
)
is a
organic heterobicyclic compound (
CHEBI:27171
)
IUPAC Name
(3
S
,4a
R
,7a
R
)-
3,4a-
dimethyl-
3-
[(9
E
,11
E
)-
12-
phenyldodeca-
9,11-
dien-
1-
yl]tetrahydrofuro[3,2-
c
][1,2]dioxin-
6(3
H
)-
one
Registry Number
Type
Source
21309199
Reaxys Registry Number
Reaxys
Citation
Type
Source
21261297
PubMed citation
Europe PMC
Last Modified
26 September 2013