Molecule FYI-1001105

Home > Molecule

A

Molecule Summary:

ID: FYI-1001105
SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)O4)O

Received at FYIcenter.com on: 2022-01-03

Molecule ID: FYI-1001105 Edit

Molecule Structure SMILES String: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)O4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001105
FYIcenter.com

 65 70  0  0  0  0  0  0  0  0999 V2000
   -7.6716    2.0830   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3770    1.8845   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5706    1.9993    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8367    0.7475    0.5885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    0.8566    1.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -0.4973    2.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5367   -0.9347    0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -2.1225    1.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2753   -2.8731   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2434   -3.4999   -0.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474   -2.8812   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186   -1.4831   -1.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4818   -1.0395   -0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0935    0.3462   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863    1.4191   -0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420    1.2209   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    0.1199    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -0.2618    0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915    0.5892    0.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672    1.7479    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6580    2.0645   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179    0.2986    1.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    1.2351    1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.8064    1.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868   -0.5585    1.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141   -0.4634   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247    0.0143   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    1.2735   -0.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    0.1671   -2.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954    1.2599   -2.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342   -0.9107   -3.1702 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    0.4670   -0.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0062   -0.9331    1.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    1.7705    1.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -1.4692    1.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5127   -1.9850   -0.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2495    2.0008   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1616    2.3245    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8876    1.6386   -1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8632    2.8234    0.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2392    2.1872    1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929    1.6037    1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5550    1.1590    2.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6119   -0.3992    2.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0677   -1.2361    2.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0567   -2.7844    1.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5580   -3.1873   -2.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9661   -3.5860   -1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049   -0.7853   -1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -1.5091   -2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8059    0.2670   -1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9728    1.4235   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4751    2.3886   -0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893    2.4340   -0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670    2.9721   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603    2.2250    1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    0.7338    2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195   -1.3044    1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867   -1.4442   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9337   -0.7161   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760   -0.7629   -4.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.5773   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -1.0056    2.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    2.6607    1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1889   -2.8805    0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 25 33  1  0  0  0  0
 24 34  1  0  0  0  0
 18 35  1  0  0  0  0
  8 35  1  0  0  0  0
 13 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  8 46  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 36 65  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001105-3D
FYIcenter.com

 65 70  0  0  1  0  0  0  0  0999 V2000
    3.0101   -2.7975    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028   -2.1189   -0.8934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717   -0.8290   -1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3057    0.2741   -1.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    0.4992   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    1.9598   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6798    2.7793   -1.3016 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0975    3.3169   -1.1870 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0819    2.5057   -2.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2829    2.7901   -2.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5785    1.2468   -2.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030    1.5188   -3.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    2.2236   -2.6849 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8907    1.4577   -2.2717 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8693    2.6205   -1.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257    4.0029   -1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    4.0199   -1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7615    5.1116   -1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2165    6.3666   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    6.4318   -1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    5.2704   -1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    7.5516   -1.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2371    7.6627   -0.6620 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4251    9.1534   -0.2604 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3037   10.0132   -1.5342 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2938    9.5649   -2.6151 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2415    8.0399   -2.8126 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2850    7.2950   -1.5881 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    7.6224   -3.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459    8.1391   -4.8637 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0857    6.5721   -3.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033   10.0213   -2.2386 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453   11.3946   -1.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6764    9.3848    0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    4.7500   -1.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    3.2091   -3.7025 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -3.6944    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -2.4684    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -2.4974   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555   -0.5728   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -1.0351   -2.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    0.0729   -0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151    0.0146    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9968    2.1326    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    2.2660    0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4716    3.1670   -0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4671    0.4288   -2.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3448    0.9344   -3.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9249    0.6369   -4.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6251    2.1928   -4.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    1.0727   -3.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245    2.2217   -0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    2.8135   -2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359    7.4145   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938    5.4076   -1.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515    7.0402    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6464    9.4594    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2797    9.9382   -1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0597   10.0652   -3.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3117    7.7557   -3.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652    6.3119   -2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607   10.9970   -2.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1797   11.9304   -1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085   10.2431    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    3.8176   -3.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  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 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 34  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 60  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 36 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-04, 2911👍, 0💬