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CHEBI:69131 - fijianolide D
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ChEBI Name
fijianolide D
ChEBI ID
CHEBI:69131
Definition
A natural product found in
Cacospongia mycofijiensis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H40O8
Net Charge
0
Average Mass
528.63380
Monoisotopic Mass
528.27232
InChI
InChI=1S/C30H40O8/c1-
18-
12-
19(2)
15-
24(31)
30(34)
27-
17-
26(25(37-
27)
11-
10-
23-
14-
20(3)
16-
29(33)
36-
23)
38-
28(32)
9-
5-
7-
21-
6-
4-
8-
22(13-
18)
35-
21/h4-
6,9-
11,16,18,21-
27,30-
31,34H,2,7-
8,12-
15,17H2,1,3H3/b9-
5-
,11-
10+/t18-
,21-
,22-
,23+,24-
,25-
,26-
,27+,30-
/m0/s1
InChIKey
CVVBJPYJIWDRMQ-FVRSRKCVSA-N
SMILES
[H]
[C@]
12CC=C[C@@]
([H]
)
(C\C=C/C(=O)
O[C@H]
3C[C@@]
([H]
)
(O[C@H]
3\C=C\[C@@H]
3CC(C)
=CC(=O)
O3)
[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
fijianolide D (
CHEBI:69131
)
has role
metabolite (
CHEBI:25212
)
fijianolide D (
CHEBI:69131
)
is a
macrolide (
CHEBI:25106
)
Synonym
Source
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-
11,12-
Dihydroxy-
16-
methyl-
14-
methylene-
8-
{(E)-
2-
[(2S)-
4-
methyl-
6-
oxo-
3,6-
dihydro-
2H-
pyran-
2-
yl]vinyl}-
6,9,22-
trioxatricyclo[16.3.1.17,10]tricosa-
3,20-
dien-
5-
one
ChEBI
Citation
Type
Source
22129061
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:pyranone(CHEBI:37963); ISA:dicarboxylic acid(CHEBI:35692); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);