Molecule FYI-1000221

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Molecule Summary:

ID: FYI-1000221
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

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

Molecule ID: FYI-1000221 Edit

Molecule Structure SMILES String: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000221
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   11.0251    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   10.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    9.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4215    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  2  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 21  1  0  0  0  0
 28 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000221-3D
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
   11.0692    3.2147   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9921    2.9142    0.8604 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5749    4.1953    1.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7606    2.1990    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511    1.7634    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    2.7222    1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    3.3738    1.1395 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2428    2.3117    0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237    5.0431    2.0634 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9540    4.8454    3.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4630    5.0371    4.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085    5.0387    2.8000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5932    6.0298    2.0226 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7723    6.4089    0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5012    5.7787   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    4.3004    0.0142 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9356    3.6973    1.9019 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7259    1.9254    2.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8449    1.0738    1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1777    1.5834   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311    3.1844   -1.1374 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8528    2.6447   -2.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    1.8638   -3.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    0.5041   -2.6704 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8514    0.6299   -1.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200   -0.2401   -3.5507 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6296    4.1717   -1.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0073    7.4134    2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8510    3.8677    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6515    3.7100   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5693    2.2965   -0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4637    2.2529    1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8467    4.7471    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4272    4.8500    1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1258    3.9538    2.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1618    1.2712   -0.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3441    2.7624   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1947    1.3624    2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300    0.8482    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0305    3.6186    2.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    2.2199    2.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436    3.8145    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    2.1891    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    1.2394    0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6847    2.5767   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    5.5667    1.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946    5.5816    4.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3014    3.8594    4.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344    6.0058    4.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    4.2728    4.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496    5.2972    2.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556    7.4873    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348    6.0426    0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5107    6.1893   -0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472    6.0198   -1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    4.2015   -0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9085    1.2263    2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    2.0061    3.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    0.0832    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402    3.4794   -3.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126    1.9668   -2.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5232    1.7452   -4.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388   -0.0602   -2.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8892   -0.3776   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9277    0.0963   -3.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7624    5.0954   -1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3452    4.5219   -2.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166    3.7158   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986    7.3892    3.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1377    8.0148    2.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438    7.9642    1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
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 11 12  1  0  0  0  0
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 11 50  1  0  0  0  0
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 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 59  1  0  0  0  0
 19 20  2  0  0  0  0
 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 3296👍, 0💬