Molecule Editor

Molecule ID: FYI-1007139 Edit

Molecule Structure InChIKey: YQTIWISENUYMQD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5CCC1C(C=CC(C)C1C(=O)c4c(O)c(C3(O)CCC(O)C2OC23)c[nH]c4=O)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007139
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.6380    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4331    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058    3.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    3.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0474    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0474    5.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6380    5.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4331    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4331    7.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2285    5.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    5.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238    3.4778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2285    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6734    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    5.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    6.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    7.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    8.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    7.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    9.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8189    6.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0238    7.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    7.6511    0.0000 C   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  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  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  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  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
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 27 25  1  0  0  0  0
 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 15  1  0  0  0  0
 31 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007139-3D
FYIcenter.com

 62 66  0  0  1  0  0  0  0  0999 V2000
    2.2742   -3.3187   -3.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573   -2.3540   -3.8361 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7565   -3.1315   -3.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9257   -2.1697   -3.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9297   -1.2772   -2.5593 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6724   -0.3592   -2.6383 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6415    0.4626   -1.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580    1.1909   -1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279    0.3658   -0.9595 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2059    1.2138   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812   -0.5567   -2.2123 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0116    0.1249   -3.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9190    1.3465   -3.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7960   -0.6854   -4.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3349   -1.8892   -4.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4680   -2.3689   -2.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9022   -2.7677   -5.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360   -4.3215   -5.1132 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3633   -4.8598   -6.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7161   -5.0469   -4.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3379   -4.9870   -3.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4513   -5.3808   -2.3091 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2559   -6.7693   -2.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8636   -5.2417   -2.7780 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4224   -3.9638   -3.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1400   -4.8194   -4.2022 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2193   -2.1607   -6.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8936   -0.8560   -6.6360 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1256   -0.0931   -5.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805    1.0296   -6.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.1582   -2.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670   -4.2343   -4.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3619   -2.8676   -4.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0886   -3.6161   -2.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621   -1.9569   -4.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457   -3.9433   -4.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7678   -3.6045   -2.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272   -1.5793   -4.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8386   -2.7364   -3.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7746   -1.9360   -1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828    0.3314   -3.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.1907   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9574    1.9812   -1.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236   -0.3168   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561    1.9200   -1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0474    0.5785   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9166    1.8021    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -1.3186   -1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835   -1.8601   -2.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5636   -4.8032   -6.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7938   -6.1077   -5.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8931   -4.6558   -5.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496   -5.6131   -3.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9973   -3.9928   -3.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3111   -4.8424   -1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4444   -7.2546   -2.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5395   -5.8692   -2.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9192   -5.3816   -4.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6886   -2.6706   -7.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1246   -0.4131   -7.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5872   -0.4670   -3.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669   -1.5159   -1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  3  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 44  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  2  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END
$$$$