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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:68095 - Chisomicine A
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ChEBI Name
Chisomicine A
ChEBI ID
CHEBI:68095
Definition
A natural product found in
Chisocheton ceramicus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H38O8
Net Charge
0
Average Mass
550.63930
Monoisotopic Mass
550.25667
InChI
InChI=1S/C32H38O8/c1-
7-
18(2)
29(36)
39-
25-
9-
8-
20-
21(32(5)
23(15-
26(34)
37-
6)
31(25,4)
16-
24(32)
33)
10-
12-
30(3)
22(20)
14-
27(35)
40-
28(30)
19-
11-
13-
38-
17-
19/h7-
9,11,13,17,21,23,25,28H,10,12,14-
16H2,1-
6H3/b9-
8-
,18-
7+/t21-
,23-
,25+,28-
,30+,31+,32+/m0/s1
InChIKey
XVHXALVCAPLJJX-TXTGMHMPSA-N
SMILES
[H]
[C@]
12CC[C@@]
3(C)
[C@@H]
(OC(=O)
CC3=C1/C=C\[C@@H]
(OC(=O)
C(\C)
=C\C)
[C@]
1(C)
CC(=O)
[C@@]
2(C)
[C@H]
1CC(=O)
OC)
c1ccoc1
Metabolite of Species
Details
Chisocheton ceramicus
(NCBI:txid155624)
Found in bark
(BTO:0001301)
. Methanolic extract of dried and powdered bark 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
Chisomicine A (
CHEBI:68095
)
has role
metabolite (
CHEBI:25212
)
Chisomicine A (
CHEBI:68095
)
is a
carbonyl compound (
CHEBI:36586
)
Synonym
Source
(1R,2S,5R,6R,12Z,14R,15R,18S)-
6-
(3-
Furyl)-
18-
(2-
methoxy-
2-
oxoethyl)-
1,5,15-
trimethyl-
8,17-
dioxo-
7-
oxatetracyclo[13.2.1.0(5,10)]octadeca-
10,12-
dien-
14-
yl (2E)-
2-
methyl-
2-
butenoate
ChEBI
Citation
Type
Source
21428417
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:carboxylic ester(CHEBI:33308); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:ketone(CHEBI:17087); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);