Chem
J-GLOBAL ID：200907045182042289   Nikkaji number：J1.115.975C

1-Hydroxy-10-oxo-5,11,10-trisdeshydroxy-10,12-secotetrodotoxin

1-ヒドロキシ-10-オキソ-5,11,10-トリスデスヒドロキシ-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： C11H17N3O7
Molecular formula furigana： C11-H17-N3-O7
Molecular weight： 303.271
InChI： InChI=1S/C11H17N3O7/c1-10(19)2-3-7(17)13-9(12)14(20)11(3)4(15)6(10)21-8(18)5(11)16/h3-7,15-17,19-20H,2H2,1H3,(H2,12,13)/t3-,4?,5-,6+,7-,10+,11-/m1/s1
InChI key： JDHFFPBCWMSXDF-KUGVCEQPSA-N
SMILES： C[C@]1(O)C[C@@H]2[C@@H](O)NC(=N)N(O)[C@]32[C@H](O)[C@@H]1OC(=O)[C@H]3O
Systematic name  (3)：
  • (8S)-1-ヒドロキシ-10-オキソ-5,11,10-トリスデスヒドロキシ-10,12-セコテトロドトキシン
  • (1R,5R,6S,8S,9S,12S,13S)-2,5,8,12,13-ペンタヒドロキシ-3-イミノ-8-メチル-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,6S,8S,9S,12S,13S)-2,5,8,12,13-pentahydroxy-3-imino-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridecan-11-one
Other name (3)：
  • 1-Hydroxy-10-oxo-5,11,10-trisdeshydroxy-10,12-secotetrodotoxin
  • 1-ヒドロキシ-10-オキソ-5,11,10-トリスデスヒドロキシ-10,12-セコテトロドトキシン
  • (8S)-1-Hydroxy-10-oxo-5,11,10-trisdeshydroxy-10,12-secotetrodotoxin
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