Chem
J-GLOBAL ID：200907022925878875
Nikkaji number：J477.502C
Nikkomycin Sx
ニッコマイシンSx
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
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
Molecular formula： C12H14N2O8
Molecular formula furigana： C12-H14-N2-O8
Molecular weight： 314.250
InChI：
InChI=1S/C12H14N2O8/c15-3-4-2-14(12(20)13-4)10-7(17)9-8(22-10)5(16)1-6(21-9)11(18)19/h2-3,5-10,16-17H,1H2,(H,13,20)(H,18,19)/t5-,6+,7-,8-,9+,10-/m1/s1
InChI key：
UUPCVEZRKOQLAH-PIAOCPBHSA-N
SMILES：
O[C@@H]1[C@@H]2O[C@@H](C[C@@H](O)[C@H]2O[C@H]1n1cc(C=O)[nH]c1=O)C(=O)O
Systematic name (3)：
- 3,7-アンヒドロ-1-[(2,3-ジヒドロ-4-ホルミル-2-オキソ-1H-イミダゾール)-1-イル]-1,6-ジデオキシ-D-glycero-β-D-allo-オクトフラヌロン酸
- (2R,3R,3aS,5S,7R,7aR)-2-(4-ホルミル-2-オキソ-2,3-ジヒドロ-1H-イミダゾール-1-イル)-3,7-ジヒドロキシ-ヘキサヒドロ-2H-フロ[3,2-b]ピラン-5-カルボン酸
- (2R,3R,3aS,5S,7R,7aR)-2-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
- ニッコマイシンSx
- Nikkomycin Sx
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