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ChEBI
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CHEBI:132707 - 5-oxobrucine
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ChEBI Ontology
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ChEBI Name
5-oxobrucine
ChEBI ID
CHEBI:132707
Definition
A monoterpenoid indole alkaloid with formula C
23
H
24
N
2
O
5
, originallly isolated from the seeds of
Strychnos nux-vomica
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C23H24N2O5
Net Charge
0
Average Mass
408.448
Monoisotopic Mass
408.16852
InChI
InChI=1S/C23H24N2O5/c1-
28-
15-
6-
13-
14(7-
16(15)
29-
2)
25-
19(26)
8-
17-
21-
12-
5-
18-
23(13,22(21)
25)
9-
20(27)
24(18)
10-
11(12)
3-
4-
30-
17/h3,6-
7,12,17-
18,21-
22H,4-
5,8-
10H2,1-
2H3/t12-
,17-
,18-
,21-
,22-
,23+/m0/s1
InChIKey
KPEKABODQFNIAE-DNEHAUKLSA-N
SMILES
C1[C@@]
2(N3C(C[C@@]
42[C@]
5(N(C=6C4=CC(=C(C6)
OC)
OC)
C(C[C@]
7([C@@]
5([C@@]
1(C(=CCO7)
C3)
[H]
)
[H]
)
[H]
)
=O)
[H]
)
=O)
[H]
Metabolite of Species
Details
Strychnos nux-vomica
(NCBI:txid28545)
Found in seed
(BTO:0001226)
. See:
DOI
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.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-oxobrucine (
CHEBI:132707
)
has functional parent
brucine (
CHEBI:3193
)
5-oxobrucine (
CHEBI:132707
)
is a
γ-lactam (
CHEBI:74222
)
5-oxobrucine (
CHEBI:132707
)
is a
δ-lactam (
CHEBI:77727
)
5-oxobrucine (
CHEBI:132707
)
is a
aromatic ether (
CHEBI:35618
)
5-oxobrucine (
CHEBI:132707
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
5-oxobrucine (
CHEBI:132707
)
is a
organic heteroheptacyclic compound (
CHEBI:52157
)
IUPAC Name
2,3-dimethoxystrychnidine-10,18-dione
Registry Number
Type
Source
22594459
Reaxys Registry Number
Reaxys
Last Modified
11 January 2017