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> Main
CHEBI:69141 - 20-methoxy-fijianolide A
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ChEBI Name
20-methoxy-fijianolide A
ChEBI ID
CHEBI:69141
Definition
A natural product found in
Cacospongia mycofijiensis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C31H44O8
Net Charge
0
Average Mass
544.67630
Monoisotopic Mass
544.30362
InChI
InChI=1S/C31H44O8/c1-
20-
12-
14-
36-
24(16-
20)
11-
13-
31(35-
4)
28-
19-
27(39-
31)
30(34)
26(32)
18-
22(3)
15-
21(2)
17-
25-
9-
5-
7-
23(37-
25)
8-
6-
10-
29(33)
38-
28/h5-
7,10-
13,21,23-
28,30,32,34H,3,8-
9,14-
19H2,1-
2,4H3/b10-
6-
,13-
11+/t21-
,23-
,24+,25-
,26-
,27+,28-
,30-
,31+/m0/s1
InChIKey
SZVPVYZZKFBESC-ROKXZQSJSA-N
SMILES
[H]
[C@]
12CC=C[C@@]
([H]
)
(C\C=C/C(=O)
O[C@H]
3C[C@@]
([H]
)
(O[C@]
3(OC)
\C=C\[C@@H]
3CC(C)
=CCO3)
[C@@H]
(O)
[C@@H]
(O)
CC(=C)
C[C@H]
(C)
C1)
O2
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
20-methoxy-fijianolide A (
CHEBI:69141
)
has role
metabolite (
CHEBI:25212
)
20-methoxy-fijianolide A (
CHEBI:69141
)
is a
macrolide (
CHEBI:25106
)
Citation
Type
Source
22129061
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:monosaccharide(CHEBI:35381); ISA:pyrans(CHEBI:26407); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);