Molecule Editor

Molecule ID: FYI-1015842 Edit

Molecule Structure InChIKey: DGQPZGGOYKKJLX-LVBQAKHDSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC[C@H](O)[C@@H]2CC[C@@H]([C@@H](O)CCCCC(O)CCCCCC1CC(CC(C)=O)C(=O)O1)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015842
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
   33.1810    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9686    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7562    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3313    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1189    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9065    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6940    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4816    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2692    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0567    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8443    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6318    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6318    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3318    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9319    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0329   10.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406   10.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038   11.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5712    9.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    8.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    8.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7169    5.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6785    6.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4195    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
 17 16  1  0  0  0  0
 17 18  1  6  0  0  0
 14 18  1  1  0  0  0
 19 17  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
 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  2  0  0  0  0
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 35 30  1  0  0  0  0
 36 32  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 24  1  0  0  0  0
 19 41  1  6  0  0  0
 13 42  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015842-3D
FYIcenter.com

106107  0  0  1  0  0  0  0  0999 V2000
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   18.5751    8.1453  -18.8649 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1735    8.0195  -18.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7614    6.8075   -6.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37105  1  0  0  0  0
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M  END
$$$$