Molecule Editor

Molecule ID: FYI-1010894 Edit
Molecule Structure InChIKey: GCFWHLMSTULBNF-XQIJSJRFSA-N
Molecule Structure SMILES String: C[C@@H]3CC[C@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)[C@@H](C)[C@@H]2O[C@H]2[C@@H](O)CCC[C@@H](O)C[C@H](O)C[C@@H]4C[C@H](O)[C@@H](O)[C@](O)(C[C@H]3O)O4
Download SDF Download SVG Structure in 2D SDF:
FYI-1010894
FYIcenter.com

 69 72  0  0  1  0  0  0  0  0999 V2000
   23.7579    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9397    2.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7343    1.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4105    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0261    1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6418    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3181    1.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125    2.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0782    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2600    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6939    5.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4045    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4045    8.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0201    8.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6939   10.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2600   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0782   12.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3181   14.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1125   14.8286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6418   14.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0261   14.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4105   14.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7343   14.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9397   13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9742   12.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7924   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3585   10.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6478    8.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2924    8.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8587    7.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0405    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3585    5.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6478    7.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7924    4.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9742    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0085    2.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1176    4.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6735    4.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2429    6.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9978   12.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7579   14.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3525   15.9243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0437   13.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0546   12.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0546   13.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8492   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6436   12.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6436   13.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2328   12.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2328   13.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0274   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0274    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218   12.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   12.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054   11.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    9.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164    9.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    7.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    9.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8492    9.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0437    2.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7519    0.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0261    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 18 20  1  6  0  0  0
 21 19  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
 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
 29 34  1  6  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 36  2  1  0  0  0  0
 36 37  1  1  0  0  0
 33 38  1  1  0  0  0
 32 39  1  1  0  0  0
 31 40  1  6  0  0  0
 27 41  1  6  0  0  0
 25 42  1  1  0  0  0
 21 43  1  1  0  0  0
 17 44  1  1  0  0  0
 45 16  1  0  0  0  0
 45 46  1  6  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 48 49  1  1  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 51 52  1  6  0  0  0
 53 51  1  0  0  0  0
 54 53  1  0  0  0  0
 53 55  1  6  0  0  0
 56 55  1  6  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 61 56  1  0  0  0  0
 60 62  1  1  0  0  0
 59 63  1  1  0  0  0
 58 64  1  1  0  0  0
 50 65  1  1  0  0  0
 47 66  1  1  0  0  0
  9 67  1  1  0  0  0
  7 68  1  1  0  0  0
  5 69  1  6  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available