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ChEBI
> Main
CHEBI:52070 - senecionine
N
-oxide
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ChEBI Name
senecionine
N
-oxide
ChEBI ID
CHEBI:52070
ChEBI ASCII Name
senecionine N-oxide
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Secondary ChEBI IDs
CHEBI:58880
Supplier Information
Download
Molfile
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Molfile
Formula
C18H25NO6
Net Charge
0
Average Mass
351.39420
Monoisotopic Mass
351.16819
InChI
InChI=1S/C18H25NO6/c1-
4-
12-
9-
11(2)
18(3,22)
17(21)
24-
10-
13-
5-
7-
19(23)
8-
6-
14(15(13)
19)
25-
16(12)
20/h4-
5,11,14-
15,22H,6-
10H2,1-
3H3/b12-
4-
/t11-
,14-
,15-
,18-
,19?/m1/s1
InChIKey
PLGBHVNNYDZWGZ-GPUZEBNTSA-N
SMILES
[H]\C(C)=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@]([H])(OC1=O)[C@@]23[H]
ChEBI Ontology
Outgoing
senecionine
N
-oxide (
CHEBI:52070
)
has functional parent
senecionine (
CHEBI:9107
)
senecionine
N
-oxide (
CHEBI:52070
)
is a
tertiary amine oxide (
CHEBI:134363
)
IUPAC Name
12-hydroxysenecionan-11,16-dione 4-oxide
Synonym
Source
senecionine
N
-oxide
UniProt
Manual Xref
Database
C15612
KEGG COMPOUND
View more database links
Last Modified
01 February 2017