Molecule Editor

Molecule ID: FYI-1007376 Edit

Molecule Structure InChIKey: CBJOAWVLOKXBRE-VAWYXSNFSA-N

Molecule Structure SMILES String: COc3cc2oc1cc(O)c(OC)c(/C=C/C(C)(C)O)c1c(=O)c2c(CC(C)C)c3C/C=C(C)\C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007376
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 14  2  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  2  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007376-3D
FYIcenter.com

 71 73  0  0  0  0  0  0  0  0999 V2000
    2.4047   -0.9747   -1.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -0.0447   -0.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    1.1147   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0966    1.2357   -1.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    2.4134   -1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5764    3.6243   -2.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5051    3.6331   -3.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1467    4.8232   -3.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0590    4.7770   -4.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8438    6.0351   -3.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3576    7.2457   -3.7146 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7349    7.2680   -4.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9066    6.0434   -2.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4740    7.2807   -1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6945    8.6013   -1.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9799    9.6907   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9262   10.4074    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   10.6948   -1.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9189    9.1480   -0.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3129    4.7910   -1.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4187    4.5627   -0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5984    5.1300    0.3459 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055    3.4903   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    3.4529   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1276    6.6002   -1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758    5.5855   -1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$