Molecule FYI-1000224

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A

Molecule Summary:

ID: FYI-1000224
SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

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

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
   -3.3612    1.0917    4.6638 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1682   -0.1792    2.2051 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0540   -1.0470    1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -1.0234   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978   -1.7427   -2.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9987   -1.2343    0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426   -2.4773   -0.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1329   -2.2056    0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048   -0.0362    2.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6623    0.9020    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    1.0365    0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    2.9217   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613    2.0370   -1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5684    1.9140   -2.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564    1.5006   -3.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -0.7330   -3.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307    0.2713   -0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522    3.0619    0.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754    2.1146    2.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0997    2.6859    3.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824   -1.3297    3.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876   -0.9862    5.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287   -1.8005    3.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718   -0.1935    4.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8314   -2.1140    1.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.8138    0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240   -0.9345    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  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
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 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
$$$$

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2022-05-05, 2572👍, 0💬