Molecule Editor

Molecule ID: FYI-1007383 Edit

Molecule Structure InChIKey: POKUVYLVIOWDID-MDZDMXLPSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007383
FYIcenter.com

 33 35  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
   14.5492    0.7000    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
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    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 O   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
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 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
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 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 23  1  0  0  0  0
 25  5  2  0  0  0  0
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 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007383-3D
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
    2.4374    1.8591    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190    0.4429    0.2210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0931   -0.1505    1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2461    0.4544    1.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0144   -0.2087    2.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687    0.4134    3.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759   -0.1437    4.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550    0.6007    4.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    0.1531    5.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102    0.8908    6.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5111    2.3032    5.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038   -1.0665    6.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0571   -1.5949    7.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2169   -0.9599    7.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3009   -1.8354    5.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7900   -3.0470    6.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726   -4.1025    7.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8578   -5.3875    7.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3288   -5.5089    7.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4954   -6.5909    6.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5698   -1.3645    4.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$