Molecule Editor

Molecule ID: FYI-1014834 Edit

Molecule Structure InChIKey: OVRNDRQMDRJTHS-CGRSDTJUSA-N

Molecule Structure SMILES String: CC(=O)N[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014834
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    3.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359    3.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8200    5.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  3 10  1  6  0  0  0
  2 11  1  1  0  0  0
  1 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014834-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
    1.2268   -1.2247   -0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4706    2.5313   -0.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    2.2013    0.4152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962   -1.5108    1.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9159   -1.6985   -0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2528   -0.8170   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1118    0.1674    0.3924 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607    1.3251    0.2783 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7857    0.1319   -0.1802 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5045    1.1879   -0.2155 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0759   -0.1982    0.1031 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0924   -1.2010    0.1314 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4567   -0.4054   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339   -0.3126   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4816   -0.1769    0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316    1.4359    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970    0.2040   -1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    1.3735   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697   -0.3397    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -2.0026   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1737    0.3345   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.3508   -1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076    0.5026    1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4785    2.4423   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    2.0246    1.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -2.4797    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -1.8102   -0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5366    0.8205    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3620   -0.3258   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4740   -0.9302    1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$