Molecule Editor

Molecule ID: FYI-1005121 Edit

Molecule Structure InChIKey: HGRDLBNVPONHEI-NQXIECBCSA-N

Molecule Structure SMILES String: CC(C)CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H](OC(=O)c1cc(O)cc(O)c1)CCC[C@]23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005121
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
   16.1416    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9291    6.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7167    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5043    6.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2919    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0793    7.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8669    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    6.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    5.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0449    4.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   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  2  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  8  1  6  0  0  0
  9  7  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 17  9  1  0  0  0  0
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 17 18  1  6  0  0  0
 13 19  1  6  0  0  0
 20 19  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005121-3D
FYIcenter.com

 67 69  0     1  0  0  0  0  0999 V2000
   -1.9460    0.8305   -0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0334   -3.4279    0.9587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6922   -0.5597   -0.1245 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8016   -0.1444   -1.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$