Molecule Editor

Molecule ID: FYI-1002608 Edit

Molecule Structure InChIKey: IKGXIBQEEMLURG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5OC(OCC4OC(Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)C(O)C(O)C4O)C(O)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002608
FYIcenter.com

 43 47  0  0  0  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
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    3.6374    0.7000    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    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
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 40 11  1  0  0  0  0
 41  5  1  0  0  0  0
 42  4  1  0  0  0  0
 43  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002608-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
    1.3024    0.0038    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -0.6417   -0.9655 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5986    0.3070   -1.9651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    0.7146   -2.8383 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0505    1.6694   -3.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    2.8563   -3.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    3.8949   -4.1448 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5959    5.0700   -3.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    5.8951   -2.8537 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2312    7.0084   -2.1984 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7295    9.2247   -1.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1205    9.8266   -1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   10.0867   -1.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5705   10.2265   -2.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1961    9.9379   -3.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$