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CHEBI:69142 - aignopsane ketal
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ChEBI Ontology
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ChEBI Name
aignopsane ketal
ChEBI ID
CHEBI:69142
Definition
A natural product found in
Cacospongia mycofijiensis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C17H28O3
Net Charge
0
Average Mass
280.40240
Monoisotopic Mass
280.20384
InChI
InChI=1S/C17H28O3/c1-
12-
7-
6-
9-
17(3)
15(18)
13(8-
10-
16(12,17)
2)
11-
14(19-
4)
20-
5/h8,12,14H,6-
7,9-
11H2,1-
5H3/t12-
,16+,17+/m0/s1
InChIKey
IDSAEMFQCPUIHH-JCURWCKSSA-N
SMILES
COC(CC1=CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O)OC
Metabolite of Species
Details
Cacospongia mycofijiensis
(NCBI:txid1162744)
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
aignopsane ketal (
CHEBI:69142
)
has role
metabolite (
CHEBI:25212
)
aignopsane ketal (
CHEBI:69142
)
is a
enol ether (
CHEBI:47985
)
aignopsane ketal (
CHEBI:69142
)
is a
enone (
CHEBI:51689
)
Citation
Type
Source
22129061
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769);