Molecule Editor

Molecule ID: FYI-1004242 Edit

Molecule Structure InChIKey: OFKILMDHPMNNBF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC7CC(O)C6(O)OC5CC1(C)C(CCC3C1CCC4(C)C(C2=CC(=O)OC2)CCC34O)CC5OC6O7

Download SDF Download SVG Structure in 2D SDF:

FYI-1004242
FYIcenter.com

 37 43  0  0  0  0  0  0  0  0999 V2000
   16.5851    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3062    1.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1736    0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8946    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7483    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8809    3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1599    2.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7346    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4557    4.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    6.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0303    6.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    8.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050    8.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    8.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    6.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8977    6.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0440    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3229    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4694    2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7650    5.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4861    5.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072    6.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1934    8.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7608   10.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3607   10.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    8.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    8.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    9.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    8.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    6.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    6.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2338    9.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    7.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6157    1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7620    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
  7  2  1  0  0  0  0
  8  6  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 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  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
 24 14  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
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 33 28  1  0  0  0  0
 34 24  1  0  0  0  0
 35 23  1  0  0  0  0
 36  5  1  0  0  0  0
 37  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004242-3D
FYIcenter.com

 79 85  0  0  1  0  0  0  0  0999 V2000
    0.0866   -0.3921   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4373    0.1615   -0.2028 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6567    1.6197   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468    2.1460    0.1750 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5391    2.0993    1.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    1.2684   -0.1370 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5943    1.6097   -1.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641    1.6392    0.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    0.7148    0.7228 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1117    1.2772    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5508    0.6613    1.9094 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9954    1.9509    2.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -0.8733    2.5743 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6897   -2.0742    2.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0713   -1.7098    2.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7620   -1.1366    1.2050 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1960    0.2739    1.0760 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5115    0.4160   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6845   -0.5935   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239   -0.3209    0.6974 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7770   -1.1082    1.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2009    1.5608    0.9734 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5916    2.1160    0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8844    3.2147   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3324    3.2630   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9268    4.1197   -0.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8976    2.1860    0.3059 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8701    1.3982    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110    2.3087    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5661    0.9723   -0.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2990   -0.8097   -0.0066 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1543   -1.8255   -0.9673 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7545   -1.5642    1.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407   -0.6521    1.1185 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8168   -1.1281    0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698   -0.2497    0.0576 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5297   -0.6311   -0.7168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    0.2318   -0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0132   -1.4019   -0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0644   -0.4460   -1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    0.0839    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728    2.2264   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906    1.6814   -1.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    3.1949   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    2.0605    2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938    2.4876   -1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5829    0.7375   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5955    1.1149    2.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0015    2.3701    1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    2.8558    2.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    2.1371    2.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5321    2.0666    3.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -0.6228    3.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348   -2.9857    2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5905   -2.3902    4.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7248   -2.5731    2.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826   -0.9706    3.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8781   -1.5328    0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7720    0.5083    1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9554    1.3123   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1009    0.0755   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6387   -0.1992   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4941   -1.5948   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8545   -0.9608    1.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6030   -2.1812    1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4251   -0.7610    2.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0853    1.7860    2.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2268    3.9746   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0693    1.3155    1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9499    0.4026    0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743    2.9153   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1862    3.0101    0.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5528    1.0540   -1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    1.1894   -0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2503   -1.7525   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286   -2.4844    1.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1929   -1.9292    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0116   -0.6066    2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.3788    1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 36  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  1  0  0  0  0
 18 19  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  1  0  0  0  0
 19 62  1  0  0  0  0
 19 63  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 22 67  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 30  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  1  0  0  0  0
 32 75  1  0  0  0  0
 33 34  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
 34 35  1  0  0  0  0
 34 78  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 79  1  0  0  0  0
M  END
$$$$