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ChEBI
> Main
CHEBI:68209 - Gemmacolide G, (rel)-
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ChEBI Name
Gemmacolide G, (rel)-
ChEBI ID
CHEBI:68209
Definition
A natural product found in
Dichotella gemmacea
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H37ClO14
Net Charge
0
Average Mass
657.05900
Monoisotopic Mass
656.18718
InChI
InChI=1S/C30H37ClO14/c1-
12-
9-
10-
19(40-
14(3)
32)
28(8)
22(26(44-
18(7)
36)
30(38)
13(2)
27(37)
45-
23(30)
20(12)
31)
29(11-
39-
29)
25(43-
17(6)
35)
21(41-
15(4)
33)
24(28)
42-
16(5)
34/h9-
10,13,19-
26,38H,1,11H2,2-
8H3/b10-
9+/t13-
,19-
,20-
,21+,22+,23-
,24-
,25+,26-
,28+,29-
,30-
/m0/s1
InChIKey
CMKNGEIJCJJGAQ-DFOHHMFPSA-N
SMILES
[H]
[C@@]
12OC(=O)
[C@H]
(C)
[C@@]
1(O)
[C@@H]
(OC(C)
=O)
[C@]
1([H]
)
[C@@]
(C)
([C@@H]
(OC(C)
=O)
\C=C\C(=C)
[C@@H]
2Cl)
[C@@H]
(OC(C)
=O)
[C@@H]
(OC(C)
=O)
[C@@H]
(OC(C)
=O)
[C@]
11CO1
Metabolite of Species
Details
Dichotella gemmacea
(NCBI:txid767270)
Ethyl acetate soluble portion of combined extract of acetone and methanol of frozen 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
Gemmacolide G, (rel)- (
CHEBI:68209
)
has role
metabolite (
CHEBI:25212
)
Gemmacolide G, (rel)- (
CHEBI:68209
)
is a
γ-lactone (
CHEBI:37581
)
Citation
Type
Source
21721519
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);