Molecule Editor

Molecule ID: FYI-1005134 Edit

Molecule Structure InChIKey: PFIQXUYXVYYERO-ALCCZGGFSA-N

Molecule Structure SMILES String: Oc2cc(O)cc(CCC/C=C\CCCCCCCCCc1cc(O)cc(O)c1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005134
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
   20.6114   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27  4  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005134-3D
FYIcenter.com

 66 67  0     0  0  0  0  0  0999 V2000
   -2.1963    0.6016    3.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8071    0.1560   -0.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3476   -4.0195   -0.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -0.6901   -3.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220    2.1517   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0413    2.6729   -1.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258    1.9239   -1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7843    2.9279   -0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205    1.4571   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0608   -1.3546    1.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2404    1.9473   -0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$