Molecule FYI-1014519

A

Molecule Summary:

ID: FYI-1014519
Names:
InChIKey: ANUMJPWPBOXOQE-WZPXOXCRSA-N
SMILES: CC(=O)O[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014519 Edit

Molecule Structure InChIKey: ANUMJPWPBOXOQE-WZPXOXCRSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014519
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   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
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  1  1  0  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
  2 11  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014519-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
    0.9009    1.2523   -0.0232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5768   -0.1033   -0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606   -2.5808    0.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1860   -2.1823   -0.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    1.1058    2.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4744    1.8120   -0.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228    0.7682    0.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670   -1.4155    0.6483 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2063   -1.1541   -0.3388 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8949   -0.2271    0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8659    0.1972   -0.0359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1419    1.0789    0.9426 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9161    0.5545   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385    0.4117   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272    0.4824   -1.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4822   -1.6085    1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220   -1.1840   -1.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123   -0.4207    1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    0.1761    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8225    1.9288    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.6442   -2.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -0.1891   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688   -2.7102    0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -2.1659    0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4212    2.0397    2.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    2.0219   -1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8187    1.1361   -2.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377    0.8969   -1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -0.5208   -2.2939 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 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  2  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 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  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 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1034👍, 0💬