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ChEBI
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CHEBI:69358 - skimmiarepin C
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ChEBI Name
skimmiarepin C
ChEBI ID
CHEBI:69358
Definition
A natural product found in
Aegle marmelos
.
Stars
This entity has been manually annotated by a third party.
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Formula
C35H54O6
Net Charge
0
Average Mass
570.79970
Monoisotopic Mass
570.39204
InChI
InChI=1S/C35H54O6/c1-
19(2)
15-
27(37)
40-
26-
11-
12-
32(7)
23-
10-
13-
34-
18-
35(34,33(23,8)
25(36)
17-
24(32)
30(26,3)
4)
14-
9-
21(34)
20-
16-
22(39-
29(20)
38)
28-
31(5,6)
41-
28/h15,20-
26,28-
29,36,38H,9-
14,16-
18H2,1-
8H3/t20-
,21-
,22+,23+,24-
,25+,26+,28-
,29?,32+,33-
,34+,35+/m0/s1
InChIKey
ITVZPGUBVVWDLH-YPEKPQOMSA-N
SMILES
[H]
[C@@]
1(C[C@]
([H]
)
(C(O)
O1)
[C@]
1([H]
)
CC[C@]
23C[C@]
12CC[C@]
1([H]
)
[C@@]
2(C)
CC[C@@H]
(OC(=O)
C=C(C)
C)
C(C)
(C)
[C@]
2([H]
)
C[C@@H]
(O)
[C@@]
31C)
[C@]
1([H]
)
OC1(C)
C
Metabolite of Species
Details
Aegle marmelos
(NCBI:txid68527)
Found in bark
(BTO:0001301)
. CH2Cl2-MeOH(1:1) extract of dried plant material(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
skimmiarepin C (
CHEBI:69358
)
has role
metabolite (
CHEBI:25212
)
skimmiarepin C (
CHEBI:69358
)
is a
limonoid (
CHEBI:39434
)
Citation
Type
Source
21875114
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:steroid ester(CHEBI:47880); ISA:fatty acid ester(CHEBI:35748); ISA:monosaccharide(CHEBI:35381); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);