Molecule FYI-1000227

Home > Molecule

A

Molecule Summary:

ID: FYI-1000227
SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

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

Molecule ID: FYI-1000227 Edit

Molecule Structure SMILES String: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000227
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-1000227-3D
FYIcenter.com

 53 56  0  0  1  0  0  0  0  0999 V2000
    1.1005    0.0269   -1.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472    0.4569   -1.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0813    1.3052   -2.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -0.2610   -0.3938 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5505    0.2169    1.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275    0.0329    1.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1021   -0.1038    0.5205 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1576   -0.8703   -0.8184 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443   -2.3320   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3370   -2.7822    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631   -1.5195    0.9161 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8303    0.3665    0.3310 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8548    1.9480    0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933    1.7251    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930    0.2199    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598    0.5467    1.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2807   -0.3588    2.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    0.1006    3.8512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642   -1.8124    2.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817   -1.9779    2.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360   -1.4397    1.1989 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3746   -2.5814    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555   -0.5032   -2.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778    0.5240   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -1.0494   -1.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445    0.2710   -2.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -1.1976   -0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2172   -0.3998    2.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    1.1729    2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7565    0.8973    2.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653   -0.8527    2.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8216    0.6670    0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220   -2.4231    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7656   -2.9065   -1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4866   -3.6657    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223   -3.0590   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031   -1.8511    1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763    0.8756   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0007    2.5307   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2622    2.5834    1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904    2.1328   -0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8486    2.4659    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081    1.5681    1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560   -2.2247    2.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2468   -2.3102    3.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523   -3.0335    2.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0738   -1.4630    3.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273   -3.5612    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184   -2.5827   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -2.5928    0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375    0.4820   -2.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878   -1.2319   -2.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7511   -0.5108   -2.2762 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
  4 27  1  0  0  0  0
  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
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  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  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  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 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 1635👍, 0💬