Molecule Editor

Molecule ID: FYI-1004398 Edit

Molecule Structure InChIKey: NTHMRCSVZGCOOO-KBHPONFASA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CCc1c([nH]c2cccc(O)c12)[C@@H]3C[C@@H]4/C(=C\OC)C(=O)O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004398
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
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    3.9078    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
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  9  8  1  0  0  0  0
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 19 18  1  0  0  0  0
 12 20  2  0  0  0  0
 19 21  1  1  0  0  0
 20 22  1  0  0  0  0
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 24 23  1  0  0  0  0
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 28 26  2  0  0  0  0
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 37 36  1  0  0  0  0
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 39 14  1  0  0  0  0
 39 33  1  1  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004398-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
   11.3264    4.1351    1.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9557   -1.2940   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$