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CHEBI:68097 - Chisomicine C
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ChEBI Name
Chisomicine C
ChEBI ID
CHEBI:68097
Definition
A natural product found in
Chisocheton ceramicus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H40O10
Net Charge
0
Average Mass
584.65400
Monoisotopic Mass
584.26215
InChI
InChI=1S/C32H40O10/c1-
7-
17(2)
27(35)
42-
26-
21-
12-
20-
19(30(5)
22(13-
23(33)
38-
6)
28(26,3)
16-
40-
32(21,30)
37)
8-
10-
29(4)
25(18-
9-
11-
39-
15-
18)
41-
24(34)
14-
31(20,29)
36/h7,9,11-
12,15,19,21-
22,25-
26,36-
37H,8,10,13-
14,16H2,1-
6H3/b17-
7+/t19-
,21?,22-
,25-
,26+,28+,29-
,30-
,31+,32-
/m0/s1
InChIKey
IOSWPDQIFIEXRD-BYQRRAKESA-N
SMILES
[H]
[C@]
12CC[C@@]
3(C)
[C@@H]
(OC(=O)
C[C@@]
3(O)
C1=CC1[C@@H]
(OC(=O)
C(\C)
=C\C)
[C@]
3(C)
CO[C@]
1(O)
[C@]
2(C)
[C@H]
3CC(=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 C (
CHEBI:68097
)
has role
metabolite (
CHEBI:25212
)
Chisomicine C (
CHEBI:68097
)
is a
hydroxy steroid (
CHEBI:35350
)
Synonym
Source
(1R,2S,5S,6R,10R,14R,15S,18S,19S)-
6-
(3-
Furyl)-
10,18-
dihydroxy-
19-
(2-
methoxy-
2-
oxoethyl)-
1,5,15-
trimethyl-
8-
oxo-
7,17-
dioxapentacyclo[13.3.1.0(2,11).0(5,10).0(13,18)]nonadec-
11-
en-
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:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:naphthalenes(CHEBI:25477); ISA:carbonyl compound(CHEBI:36586); ISA:fatty acid ester(CHEBI:35748); ISA:delta-lactone(CHEBI:18946); ISA:pyrans(CHEBI:26407); ISA:oxanes(CHEBI:46942); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352);