Molecule Editor

Molecule ID: FYI-1003703 Edit

Molecule Structure InChIKey: OGEJBBPFFLOZKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C3CCC4C2=CC(=O)C1CC(O)C(O)CC1(C)C2CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003703
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.8510    2.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914    3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240    2.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6934    2.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6302    3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1343    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5038    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406    6.3664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9364    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9996    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4322    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8016    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7384    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3058    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0628    1.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    4.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    6.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588    5.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.9092    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003703-3D
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
    0.8174    0.0992    1.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.6497    0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162    0.4752   -0.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    1.4040    0.9834 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3170    1.6285    2.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686    1.7377    2.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    1.4448    1.2608 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7675    0.7322    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.4805    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7926    0.8460   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3172    1.3167   -1.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2384   -0.4115    0.3387 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7062   -0.6982    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1394   -1.9172    0.8693 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1691   -1.6111    2.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2039   -3.0958    0.5719 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2943   -3.4568   -0.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -2.7877    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1463   -1.5132    0.2956 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6448   -2.0425   -1.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   -0.8447    1.0980 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5602   -1.5593    0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3442   -0.7829    1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408    0.6454    0.5609 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5742    0.7177   -0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293   -0.6458    0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.9090    1.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -0.4072    2.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386    2.3948    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    0.8050    3.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    2.5370    2.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390    1.0616    3.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332    2.7574    2.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    2.4374    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2668   -0.0932    1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2862    0.1779    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5451   -2.5600    1.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9705   -0.0093   -1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3472    1.7220   -1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$