Chem
J-GLOBAL ID：200907029515817067   Nikkaji number：J371.923E

Senecionine N-oxide

セネシオニンN-オキシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H25[N+]O5[O-]
Molecular formula furigana： C18-H25-N-O6
Molecular weight： 351.399
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
InChI key： PLGBHVNNYDZWGZ-LTOZMRRMSA-N
SMILES： C/C=C\1/CC(C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
Systematic name  (3)：
  • 12-ヒドロキシセネシオナン-11,16-ジオン4-オキシド
  • (1R,4Z,6R,7R,17R)-4-エチリデン-7-ヒドロキシ-6,7-ジメチル-3,8-ジオキソ-2,9-ジオキサ-14-アザトリシクロ[9.5.1.014,17]ヘプタデカ-11-エン-14-イウム-14-オラート
  • (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-14-ium-14-olate
Other name (3)：
  • セネシオニンN-オキシド
  • Senecionine N-oxide
  • 12-Hydroxysenecionan-11,16-dione 4-oxide
CAS registry number： 13268-67-2
KEGG COMPOUND： C15612
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