Molecule Editor

Molecule ID: FYI-1010804 Edit

Molecule Structure InChIKey: LNMXRONIHUOFQM-HVRKRCABSA-N

Molecule Structure SMILES String: COc3cc(O)c2C(=O)[C@H]1C[C@@H](O)[C@@](C)(O)C[C@@H]1[C@@H](O)c2c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010804
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    4.7124    0.0000 O   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  3  1  1  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
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 13  4  1  0  0  0  0
 13 14  1  6  0  0  0
 15 12  1  0  0  0  0
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 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  1  0  0  0  0
  2 23  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010804-3D
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
    3.8532    0.7745   -1.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924   -1.2159   -0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    2.5466   -0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -2.8050   -0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    2.3317    0.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2224   -3.1007   -0.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9227    0.7565    0.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502    0.6565   -0.0598 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900   -0.7519    0.5345 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4927    1.5189    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    0.8502   -0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6998   -1.4166    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -0.5532    0.4321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0392    1.3174    0.4650 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1951   -1.6074    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531    0.4356    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5415    0.9973    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791   -1.7488   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9151    2.7272   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1305   -2.0828    0.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4304   -1.7854   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 43  1  0  0  0  0
M  END
$$$$