Molecule FYI-1000225

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Molecule Summary:

ID: FYI-1000225
SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

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

Molecule ID: FYI-1000225 Edit

Molecule Structure SMILES String: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000225
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-1000225-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    0.7507   -0.3110    1.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -0.3579    0.2122 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4449   -0.4601   -1.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -1.5806   -2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -2.8459   -1.4588 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5187   -2.4814   -0.4596 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9501   -1.5326    0.6366 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0428   -0.9021    1.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2588    0.5002    0.9578 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8656    0.9423    0.4805 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3019    1.7584    1.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2281    0.5079   -0.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672   -2.0146   -1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129   -3.0935   -2.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2617   -3.9051   -2.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -3.8504   -2.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912   -4.7122   -3.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114   -5.5954   -4.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7477   -5.6188   -4.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -4.7911   -3.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -6.4489   -5.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -1.1544    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763    0.6061    0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014   -0.3355    2.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    0.4984   -1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3553   -0.5938   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5851   -3.3037   -0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208   -3.3999    0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.2048    1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9583   -1.4984    1.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642   -0.8260    2.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    1.1521    1.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    1.5734   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    1.3060    2.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    1.0103   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5839   -1.7634   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -1.1178   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280   -3.7838   -1.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9730   -2.6191   -2.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -4.6967   -2.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847   -6.2502   -4.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -4.8403   -4.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443   -6.9345   -5.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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 16  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  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 12  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
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$

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2022-05-05, 2277👍, 0💬