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ChEBI
> Main
CHEBI:66713 - Pacificin C(rel)
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ChEBI Ontology
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ChEBI Name
Pacificin C(rel)
ChEBI ID
CHEBI:66713
Definition
A natural product found in
Nephthea pacifica
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H34O4
Net Charge
0
Average Mass
338.48160
Monoisotopic Mass
338.24571
InChI
InChI=1S/C20H34O4/c1-
17(2,24-
22)
8-
6-
9-
18(3)
11-
12-
20(5)
16(23-
20)
7-
10-
19(4,21)
15-
13-
14(15)
18/h6,8,14-
16,21-
22H,7,9-
13H2,1-
5H3/b8-
6+/t14-
,15-
,16-
,18-
,19-
,20-
/m0/s1
InChIKey
QVXHUQXNTXETOI-IMMUYQCLSA-N
SMILES
[H][C@]12CC[C@](C)(O)[C@@]3([H])C[C@]3([H])[C@](C)(CC[C@]1(C)O2)C\C=C\C(C)(C)OO
Metabolite of Species
Details
Nephthea pacifica
(WORMS:288680)
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
Pacificin C(rel) (
CHEBI:66713
)
has role
metabolite (
CHEBI:25212
)
Pacificin C(rel) (
CHEBI:66713
)
is a
tertiary alcohol (
CHEBI:26878
)
Synonym
Source
rel-
(1S,2S,5S,7S,10R,11S)-
10-
[4-
Hydroperoxy-
4-
methyl-
2-
penten-
1-
yl]-
2,7,10-
trimethyl-
6-
oxatricyclo[9.1.0.05,7]dodecan-
2-
ol
ChEBI
Citation
Type
Source
15679321
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:peroxol(CHEBI:35924); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698);