Molecule Editor

Molecule ID: FYI-1016166 Edit

Molecule Structure InChIKey: QKDVEGVVCQTJPD-YFKPBYRVSA-N

Molecule Structure SMILES String: O=C(O)C[C@](O)(CO)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016166
FYIcenter.com

 11 10  0  0  1  0  0  0  0  0999 V2000
    3.6374    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016166-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    0.2777   -1.3690    1.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430    2.2026    0.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1466    0.7867   -1.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025   -1.1186    0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5017   -1.4297   -0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601    0.8286   -0.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4512   -0.2036    0.2588 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5839   -0.2525   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564    1.0133    1.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808   -0.2542   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.2036   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4501    0.5674   -1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -1.1748   -1.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    1.1602    1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6002    0.8664    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.2930    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    2.9250    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652    0.7562   -1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262   -1.3837    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$