Molecule Editor

Molecule ID: FYI-1016078 Edit

Molecule Structure InChIKey: TZXFIDPRWLWIJE-PBUPUVDDSA-N

Molecule Structure SMILES String: C/C(=C\C(=O)S)CC[C@H]2[C@](C)(O)CC[C@H]1C(C)(C)CCC[C@@]12C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016078
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    6.2497    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    6.8124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 15  1  0  0  0  0
 22  9  1  0  0  0  0
 22 23  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016078-3D
FYIcenter.com

 57 58  0  0  1  0  0  0  0  0999 V2000
    8.0494   -2.9637   -2.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2203   -3.6743   -1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8841   -4.9794   -1.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2820   -6.0000   -2.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9574   -5.7756   -3.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186   -7.6277   -2.3360 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636   -2.7114   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0410   -3.0991    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6492   -1.8927    1.6188 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7710   -2.4194    2.8259 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3412   -3.6042    3.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5187   -2.8852    2.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3774   -1.2953    3.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450   -0.4257    4.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.2329    3.0133 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0950    1.4894    3.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2605    1.2029    4.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2331    2.5949    4.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6383    2.1156    2.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2671    1.1129    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116   -0.0298    0.7987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119   -0.8498    2.0340 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9964   -1.6282    2.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3603   -3.5755   -3.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9609   -2.5615   -2.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4842   -2.1185   -3.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2975   -5.3519   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1358   -7.4022   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -1.8432   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8490   -2.4406   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6021   -3.8519    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1184   -3.5833    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -1.2978    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5291   -4.4765    2.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6052   -3.9488    4.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526   -3.3638    4.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513   -3.7692    1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773   -1.7134    4.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -0.6592    3.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2656   -1.0096    4.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431    0.3281    4.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    0.6670    2.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9448    0.5964    5.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6664    2.1392    4.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046    0.7082    3.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9154    2.3199    5.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398    2.8139    3.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8013    3.5298    4.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3701    2.9041    2.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8172    2.6091    1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    0.7296    1.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    1.6147    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8693   -0.6274    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4436    0.3690    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8670   -1.0030    2.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3503   -2.4194    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494   -2.0971    3.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9  8  1  0  0  0  0
  9 33  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  6  0  0  0
 10 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 42  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  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  1  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
M  END
$$$$