Molecule Editor

Molecule ID: FYI-1016264 Edit

Molecule Structure InChIKey: FJGNTEKSQVNVTJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C(O)C(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016264
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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 C   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016264-3D
FYIcenter.com

 21 20  0     1  0  0  0  0  0999 V2000
    0.8065    1.6685   -0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894    1.3788    0.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305   -0.3173    1.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335   -1.2761   -0.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450    0.3506   -0.4044 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9886    0.3633    0.5114 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3528   -0.6273    0.0238 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7279   -0.9741    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045   -0.5664   -0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488    0.1368   -1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7044    0.6356    1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -1.6526    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091   -1.7896    0.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347   -0.9007    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354   -1.3108   -0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    0.4082   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687   -0.7612   -1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059    2.2791   -0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1744    1.1468   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958   -0.9710    1.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -2.1236   -0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$