Molecule Editor

Molecule ID: FYI-1004070 Edit

Molecule Structure InChIKey: OYCXYUHAMYUKSH-SSCWJUQISA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CCc1c([nH]c2cccc(OC)c12)[C@@H]3C[C@@H]4/C(=C\O[C@@H]5O[C@H](C(=O)O)C(O)[C@H](O)C5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004070
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
   10.1783    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
    7.7535    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7535    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.3286    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2152   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   12.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  3  1  0  0  0  0
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  5  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 40 39  2  0  0  0  0
 40 33  1  0  0  0  0
 30 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004070-3D
FYIcenter.com

 76 80  0  0  1  0  0  0  0  0999 V2000
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    1.3722    5.6993    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7070    7.0122    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    3.2837    1.0302 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7898    2.5220    1.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$