Molecule FYI-1014786

A

Molecule Summary:

ID: FYI-1014786
Names:
InChIKey: SCBBSJMAPKXHAH-MSPRSRQBSA-N
SMILES: CO[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O

Received at FYIcenter.com on: 2025-05-23

Molecule ID: FYI-1014786 Edit

Molecule Structure InChIKey: SCBBSJMAPKXHAH-MSPRSRQBSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014786
FYIcenter.com

 13 13  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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    3.6373    0.7000    0.0000 C   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
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    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  6  0  0  0
  3 10  1  6  0  0  0
 11 10  1  0  0  0  0
  2 12  1  1  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014786-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
    1.3586    0.7701   -0.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4421   -0.8666   -0.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284   -1.4138   -1.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    1.9541    0.3875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    2.9145   -0.4535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472   -0.6138    0.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353   -0.3107    0.3892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0470   -1.1997    0.0208 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2600   -0.5177    0.4397 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0564    1.1025   -0.1647 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3170    1.6624    0.2126 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4899   -1.3175    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -2.1638    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300   -0.2436    1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1082   -2.1825    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -0.3685    1.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2014    1.1097   -1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    1.8548    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5545   -1.4404   -1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961   -2.3065    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -0.5759   -1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    2.8482    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176    3.4324    0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7329   -2.4052    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039   -2.2077    1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0859   -2.9169   -0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.2632    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1877👍, 0💬