Molecule Editor

Molecule ID: FYI-1014368 Edit

Molecule Structure InChIKey: WSPKULGBZAOXCJ-ROUUACIJSA-N

Molecule Structure SMILES String: Oc3ccc(C[C@H](O)[C@@H](O)Cc1c[nH]c2ccccc12)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014368
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    9.3416    6.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7111    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6479    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8459    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090    5.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
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    3.6373    2.1000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
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  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
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 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 12 21  1  1  0  0  0
 11 22  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014368-3D
FYIcenter.com

 41 43  0     1  0  0  0  0  0999 V2000
   -0.3751   -2.3264   -0.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -1.7876    1.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086    1.5798    0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8022   -1.3351   -0.2577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3428   -1.0648   -0.2896 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1015   -0.7992    0.1756 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3417   -1.0772    0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7660   -0.8954    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   -0.8533   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307    0.3367    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7222    0.0347   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6092   -1.9079    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -0.2015   -0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0801    1.6870    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6844    1.0195   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    1.1495   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312   -0.9691    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2841   -2.0287    0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9753    2.5226    0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$