Molecule FYI-1000228

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Molecule Summary:

ID: FYI-1000228
SMILES: CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C

Received at FYIcenter.com on: 2021-01-22

Molecule ID: FYI-1000228 Edit

Molecule Structure SMILES String: CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000228
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
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  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
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 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-1000228-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
   10.0914   -1.5160    5.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7273   -1.2157    5.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3441   -0.0536    5.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8907   -2.4290    4.6547 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0568   -2.9531    5.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6856   -2.2870    5.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5698   -1.7127    4.2728 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8496   -2.2084    3.5289 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3263   -1.2877    2.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1945   -0.4008    1.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7469    0.5659    2.9848 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4041   -0.1792    4.3126 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0648    0.2966    4.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0226    1.6386    4.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9309    2.3570    3.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997    3.0396    3.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8205    2.0132    2.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081    1.9163    3.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785    1.1410    1.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556    1.3333    1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519    1.7373    2.5188 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6786    2.8581    1.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281   -3.5844    2.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6327   -0.5765    5.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9928   -2.0370    6.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6170   -3.1915    4.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5898   -1.5076    6.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8904   -3.0148    5.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6755   -2.1368    3.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7220   -1.8785    1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1616   -0.6490    2.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666   -1.0367    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5499    0.1579    1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6746    1.0978    3.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1132    0.1818    5.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.2021    4.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428    2.1051    5.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    3.7716    2.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470    1.3911    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7721    2.1139    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727    0.4348    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3216    3.2655    2.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1103    3.6968    1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4408   -4.0559    2.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8469   -3.4654    2.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  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  8  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
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  7 12  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  3  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  3  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$

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2022-05-05, 2063👍, 0💬