Molecule FYI-1001955

Home > Molecule

A

Molecule Summary:

ID: FYI-1001955
SMILES: O=C([C@H](O)[C@H](O)[C@H](O)CO)CO

Received at FYIcenter.com on: 2023-01-05

Molecule ID: FYI-1001955 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001955
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
   -2.4682   -1.0712    0.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9525   -0.3205   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615   -0.6004   -0.5181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5103   -0.3709   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479   -1.9793   -0.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    0.2697    0.2402 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3917    0.0402    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293    1.6486    0.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551   -0.0145   -0.2754 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9064    0.2150   -1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1688   -1.3934   -0.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596    0.8556    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    0.6767   -0.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023    0.8929   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9907    0.9356    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742   -2.2547    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556    1.9240   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425   -1.6688    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    1.9028    0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721    0.5646    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    1.1994    0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450    1.7928   -0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8191    0.8380   -1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5298    1.6925   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001955-3D
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-31, 2630👍, 0💬