Molecule FYI-1000230

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A

Molecule Summary:

ID: FYI-1000230
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

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

Molecule ID: FYI-1000230 Edit

Molecule Structure SMILES String: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000230
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-1000230-3D
FYIcenter.com

 46 49  0  0  1  0  0  0  0  0999 V2000
    0.7395   -0.0250    1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286   -0.0973    0.2027 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4705   -0.2251   -1.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8995   -1.3880   -2.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3995   -2.6353   -1.4259 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5050   -2.2479   -0.4386 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9218   -1.3105    0.6536 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0354   -0.7148    1.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    0.6454    0.9016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135    1.1786    0.5712 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9891    2.2453   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0837    3.2231   -1.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4488    1.8193    1.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395   -1.7555   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -2.8427   -2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497   -3.6882   -2.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8979   -3.6542   -2.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897   -4.5406   -3.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -5.4270   -4.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381   -5.4293   -4.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6586   -4.5825   -3.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872   -6.2597   -5.4197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384   -0.8362    0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    0.9221    0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3123   -1.9622    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322   -1.3389    1.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6797   -0.5971    2.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    0.5621    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    1.2834    1.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738    4.1314   -1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2357    2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566   -1.4682   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5014   -0.8640   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9227   -3.5161   -1.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392   -2.3723   -2.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438   -4.5395   -2.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840   -6.0979   -4.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6998   -4.6229   -4.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   -6.7398   -5.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  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 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  3  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

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2022-05-05, 1402👍, 0💬