Chem
J-GLOBAL ID：200907005898743073   Nikkaji number：J1.115.974E

10-Oxo-10-deshydroxy-10,12-secotetrodotoxin

10-オキソ-10-デスヒドロキシ-10,12-セコテトロドトキシン
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： C11H17N3O8
Molecular formula furigana： C11-H17-N3-O8
Molecular weight： 319.270
InChI： InChI=1S/C11H17N3O8/c12-9-13-7(19)2-3(16)10(21,1-15)6-4(17)11(2,14-9)5(18)8(20)22-6/h2-7,15-19,21H,1H2,(H3,12,13,14)/t2-,3-,4?,5-,6+,7-,10+,11-/m1/s1
InChI key： VEHPZAMJZMJCBZ-HQYBFVCKSA-N
SMILES： OC[C@]1(O)[C@H](O)[C@@H]2[C@@H](O)NC(=N)N[C@]32[C@H](O)[C@@H]1OC(=O)[C@H]3O
Systematic name  (3)：
  • (8S)-10-オキソ-10-デスヒドロキシ-10,12-セコテトロドトキシン
  • (1R,5R,6R,7R,8S,9S,12S,13S)-5,7,8,12,13-ペンタヒドロキシ-8-(ヒドロキシメチル)-3-イミノ-10-オキサ-2,4-ジアザトリシクロ[7.3.1.01,6]トリデカン-11-オン
  • (1R,5R,6R,7R,8S,9S,12S,13S)-5,7,8,12,13-pentahydroxy-8-(hydroxymethyl)-3-imino-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridecan-11-one
Other name (3)：
  • 10-Oxo-10-deshydroxy-10,12-secotetrodotoxin
  • 10-オキソ-10-デスヒドロキシ-10,12-セコテトロドトキシン
  • (8S)-10-Oxo-10-deshydroxy-10,12-secotetrodotoxin
Thsaurus map：
Thesaurus Map

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