Molecule Editor

Molecule ID: FYI-1004274 Edit

Molecule Structure InChIKey: NTHMRCSVZGCOOO-CENZPHBLSA-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-1004274
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
    3.0381   12.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7847   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3286    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1161    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7535    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5694    9.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5253    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 18 17  1  6  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 19  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
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 37 34  1  0  0  0  0
 37 10  1  0  0  0  0
 38  4  2  0  0  0  0
 39 38  1  0  0  0  0
 12 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004274-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
    0.9939   -0.5329    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8175   -1.6248    1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8314   -3.0704    2.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4424   -0.4261    2.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1792   -3.2105    4.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6606    0.6923    1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3896    0.7767    2.0112 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6427    0.6660    3.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$