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ChEBI
> Main
CHEBI:69782 - shizukaol A
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ChEBI Name
shizukaol A
ChEBI ID
CHEBI:69782
Definition
A natural product found in
Chloranthus japonicus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C31H34O6
Net Charge
0
Average Mass
502.59810
Monoisotopic Mass
502.23554
InChI
InChI=1S/C31H34O6/c1-
11-
14-
7-
19(14)
29(4)
17(11)
10-
18-
12(2)
28(35)
37-
31(18)
21(29)
9-
16-
15-
8-
20(15)
30(5)
23(16)
24(31)
22(25(32)
26(30)
33)
13(3)
27(34)
36-
6/h14-
15,17,19-
21,24,26,33H,1,7-
10H2,2-
6H3/b22-
13-
/t14-
,15+,17-
,19-
,20+,21-
,24-
,26-
,29+,30-
,31-
/m0/s1
InChIKey
GQSUZVYXPAKHQW-DMAWVQMSSA-N
SMILES
[H]
[C@@]
12C[C@]
1([H]
)
[C@@]
1(C)
[C@@]
([H]
)
(CC3=C(C)
C(=O)
O[C@]
33[C@@]
1([H]
)
CC1=C4[C@]
3([H]
)
\C(C(=O)
[C@H]
(O)
[C@@]
4(C)
[C@]
3([H]
)
C[C@]
13[H]
)
=C(/C)
C(=O)
OC)
C2=C
Metabolite of Species
Details
Chloranthus japonicus
(NCBI:txid13007)
Found in whole plant
(BTO:0001461)
. Methanolic extract of dried and powdered plant 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
shizukaol A (
CHEBI:69782
)
has role
metabolite (
CHEBI:25212
)
shizukaol A (
CHEBI:69782
)
is a
triterpenoid (
CHEBI:36615
)
Citation
Type
Source
21650224
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:cyclohexanones(CHEBI:23482); ISA:butenolide(CHEBI:50523); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);