Chem
J-GLOBAL ID：200907066140550656   Nikkaji number：J487.243F

Nikkomycin Soz

ニッコマイシンSoz
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： C12H14N2O9
Molecular formula furigana： C12-H14-N2-O9
Molecular weight： 330.249
InChI： InChI=1S/C12H14N2O9/c15-4-1-2-14(11(20)13-4)3-12(21)9-6(17)7(23-12)5(16)8(22-9)10(18)19/h1-2,5-9,16-17,21H,3H2,(H,18,19)(H,13,15,20)/t5-,6+,7+,8-,9+,12-/m0/s1
InChI key： UBGBFIWYAVRPSW-LVIVJQGHSA-N
SMILES： O[C@@H]1[C@@H]2O[C@@](O)(Cn3ccc(=O)[nH]c3=O)[C@@H]1O[C@@H]([C@H]2O)C(=O)O
Systematic name  (3)：
  • 3,7-アンヒドロ-1-[(1,2,3,4-テトラヒドロ-2,4-ジオキソピリミジン)-1-イル]-1-デオキシ-β-D-glycero-D-allo-オクトフラヌロン酸
  • (1R,3S,4S,5S,7S,8R)-7-[(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)メチル]-4,7,8-トリヒドロキシ-2,6-ジオキサビシクロ[3.2.1]オクタン-3-カルボン酸
  • (1R,3S,4S,5S,7S,8R)-7-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4,7,8-trihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylic acid
Other name (3)：
  • ニッコマイシンSoz
  • Nikkomycin Soz
  • 3,7-Anhydro-1-[(1,2,3,4-tetrahydro-2,4-dioxopyrimidin)-1-yl]-1-deoxy-β-D-glycero-D-allo-octofuranuronic acid
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