Molecule Editor

Molecule ID: FYI-1002199 Edit

Molecule Structure InChIKey: ZKXSVBLYGNHKPJ-JSKKQJDMSA-N

Molecule Structure SMILES String: COc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002199
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    6.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3768    8.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    5.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
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 32 33  1  0  0  0  0
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 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002199-3D
FYIcenter.com

 67 72  0  0  1  0  0  0  0  0999 V2000
    3.0857    3.7525    1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288    2.4116    1.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7019    1.5989    2.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3227    0.5759    2.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6290   -0.6167    3.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2460   -1.6129    4.2604 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5002   -1.8100    5.6253 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0841   -0.4119    6.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.4316    7.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635   -1.4742    7.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -2.8814    7.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419   -2.8881    5.6633 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2903   -2.2015    4.9228 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.2872    4.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8580   -5.8498    4.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7991   -6.3732    5.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -6.5413    3.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -7.3525    2.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -7.3565    1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -6.6081    1.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7269   -5.8452    3.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657   -5.8179    3.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0265   -4.3167    5.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1026   -4.3648   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6484   -4.4201    1.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393   -3.0270    3.8570 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.2764    2.4978    1.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
$$$$