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
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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
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Last Modified
01 February 2017