Molecule Editor

Molecule ID: FYI-1000224 Edit

Molecule Structure SMILES String: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000224
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000224-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    1.4524   -0.8263   -1.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -0.4516   -1.0282 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0686   -1.4938    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220   -1.6016    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682   -0.2401    1.6708 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5278    0.9331    0.6694 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7155    0.8864   -0.2678 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6767    1.9302   -1.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    1.3747   -2.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084   -0.1294   -2.1137 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1386   -0.3597   -1.6657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756    2.2116    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008    2.4759    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    1.3020    2.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7380    1.6688    3.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    0.7130    4.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5684    1.9140   -2.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1240   -0.9345    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$