Molecule FYI-1011784

A

Molecule Summary:

ID: FYI-1011784
Names:
InChIKey: XZNOZEYKFBKGEY-UHFFFAOYSA-N
SMILES: CCCCCC(O)CCCCC(O)C3CCC(C2CCC(C(O)CCCCCCCCCCCCC1=CC(C)OC1=O)O2)O3

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011784 Edit

Molecule Structure InChIKey: XZNOZEYKFBKGEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(O)CCCCC(O)C3CCC(C2CCC(C(O)CCCCCCCCCCCCC1=CC(C)OC1=O)O2)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011784
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
   34.4727    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1411    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1008    1.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7692    0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7289    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3973    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3570    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0254    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9851    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6535    2.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6132    3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9043    4.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1832    5.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0369    6.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6675    6.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9675    5.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0980    8.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7980    9.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8613   10.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5823    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7286    8.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9450   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7326    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205   10.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    9.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   10.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    9.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    8.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    8.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    7.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698   11.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2817    2.8819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1063    0.0000    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 35  1  0  0  0  0
 40 39  2  0  0  0  0
 41 37  1  0  0  0  0
 42 22  1  0  0  0  0
 43 11  1  0  0  0  0
 44  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011784-3D
FYIcenter.com

110112  0  0  1  0  0  0  0  0999 V2000
    7.2016   -0.0534  -11.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0906   -0.2357  -10.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    0.9814   -9.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8821    0.7997   -8.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    2.0148   -7.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6767    1.8329   -6.4158 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0358    1.6743   -6.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5576    3.0418   -5.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4485    2.8644   -4.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269    4.0736   -3.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2192    3.8951   -2.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1069    5.1006   -1.2559 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7544    5.2440   -0.8154 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0403    4.9459   -0.0572 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9339    6.1343    0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3137    6.2522    1.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1947    5.7579    0.2935 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.4353    5.0330    0.8122 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.9384    5.6670    2.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4154    5.4933    2.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7012    5.5369    0.5453 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.9013    4.6531    0.1718 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.6686    3.2853    0.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1876    4.7318   -1.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5060    6.1581   -1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7782    6.2274   -3.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0882    7.6583   -3.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3664    7.7299   -5.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6791    9.1591   -5.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9594    9.2305   -6.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2701   10.6603   -7.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5522   10.7339   -8.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8654   12.1660   -9.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1470   12.2243  -10.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4435   13.6462  -11.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7183   13.6974  -12.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8822   14.1169  -13.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7884   14.1034  -14.6423 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.6281   15.5069  -15.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5814   13.3719  -14.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8125   13.3517  -13.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6002   13.1050  -13.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5030    5.1271   -0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4021    4.8544   -0.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2696   -0.9267  -12.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5048    0.8320  -12.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1586    0.0739  -11.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290   -0.3793  -10.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7881   -1.1346  -10.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9532    1.1273   -9.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2947    1.8816  -10.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9191    0.6540   -8.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827   -0.0978   -7.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7438    2.1618   -7.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897    2.9082   -8.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3824    0.9283   -5.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2919    2.4675   -7.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    3.1752   -5.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8614    3.9486   -6.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4942    2.7399   -4.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    1.9578   -3.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2814    4.1966   -3.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208    4.9793   -3.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2575    3.7581   -2.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.9839   -1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3668    6.0058   -1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5252    4.4345   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7970    4.0191    0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900    5.9702    1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6745    7.0490    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3944    5.6028    2.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5858    7.2615    1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4971    6.5889   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2194    3.9634    0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4807    5.2031    2.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    6.7354    2.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6759    4.5251    2.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9526    6.2676    2.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8777    6.5708    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7772    4.9887    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8820    2.9836    0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3273    4.3655   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0306    4.0762   -1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3683    6.5268   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6645    6.8215   -1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9052    5.8661   -3.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6224    5.5772   -3.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9590    8.0184   -3.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2422    8.3088   -3.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4950    7.3690   -5.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2119    7.0784   -5.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5495    9.5202   -4.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8329    9.8100   -5.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0896    8.8683   -7.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8066    8.5808   -7.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1393   11.0234   -6.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4225   11.3100   -7.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6830   10.3730   -9.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3980   10.0818   -9.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7394   12.5227   -8.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0209   12.8189   -9.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2836   11.8426  -11.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0059   11.5778  -10.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3178   14.0168  -10.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6092   14.3083  -10.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7327   14.4517  -12.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6581   13.6151  -15.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7106   15.9763  -14.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5365   15.4723  -16.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4782   16.1472  -14.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2 48  1  0  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4  5  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5 54  1  0  0  0  0
  5 55  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 60  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 62  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 66  1  0  0  0  0
 13 67  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 68  1  0  0  0  0
 15 16  1  0  0  0  0
 15 69  1  0  0  0  0
 15 70  1  0  0  0  0
 16 17  1  0  0  0  0
 16 71  1  0  0  0  0
 16 72  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 73  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 74  1  0  0  0  0
 19 20  1  0  0  0  0
 19 75  1  0  0  0  0
 19 76  1  0  0  0  0
 20 21  1  0  0  0  0
 20 77  1  0  0  0  0
 20 78  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 79  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 25  1  0  0  0  0
 24 82  1  0  0  0  0
 24 83  1  0  0  0  0
 25 26  1  0  0  0  0
 25 84  1  0  0  0  0
 25 85  1  0  0  0  0
 26 27  1  0  0  0  0
 26 86  1  0  0  0  0
 26 87  1  0  0  0  0
 27 28  1  0  0  0  0
 27 88  1  0  0  0  0
 27 89  1  0  0  0  0
 28 29  1  0  0  0  0
 28 90  1  0  0  0  0
 28 91  1  0  0  0  0
 29 30  1  0  0  0  0
 29 92  1  0  0  0  0
 29 93  1  0  0  0  0
 30 31  1  0  0  0  0
 30 94  1  0  0  0  0
 30 95  1  0  0  0  0
 31 32  1  0  0  0  0
 31 96  1  0  0  0  0
 31 97  1  0  0  0  0
 32 33  1  0  0  0  0
 32 98  1  0  0  0  0
 32 99  1  0  0  0  0
 33 34  1  0  0  0  0
 33100  1  0  0  0  0
 33101  1  0  0  0  0
 34 35  1  0  0  0  0
 34102  1  0  0  0  0
 34103  1  0  0  0  0
 35 36  1  0  0  0  0
 35104  1  0  0  0  0
 35105  1  0  0  0  0
 36 37  2  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 37106  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38107  1  0  0  0  0
 39108  1  0  0  0  0
 39109  1  0  0  0  0
 39110  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1367👍, 0💬