Molecule Editor

Molecule ID: FYI-1006953 Edit

Molecule Structure InChIKey: NYLNHNDMNOPWAZ-ZLEFDVGRSA-N

Molecule Structure SMILES String: CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006953
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8118    3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  4 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006953-3D
FYIcenter.com

 58 59  0     1  0  0  0  0  0999 V2000
    1.2291    1.5074    0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955   -0.6228   -0.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    2.4903    0.5077 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7044    0.3934    1.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079   -1.9530   -0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -2.1582   -1.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309   -2.9657   -1.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4638   -0.5917    1.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702    0.6799    0.7100 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5221    0.5795    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7240   -1.7408    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0851    1.8846   -0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7680   -0.2662    2.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349   -1.0665    2.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697    1.8145   -0.9291 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.5303    1.1125    0.6807 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7607    0.2548    0.3843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5840   -1.3286   -0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3900   -1.2240    0.2708 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6195    0.0964   -1.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991   -1.4146   -0.6717 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.9390   -2.3668   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  2 23  1  0  0  0  0
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  6 20  2  0  0  0  0
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M  END
$$$$