Molecule Editor

Molecule ID: FYI-1005403 Edit

Molecule Structure InChIKey: KLCCWTPDOMHIPB-NIGASHJKSA-N

Molecule Structure SMILES String: CC[C@]5(O)Cc3c(O)c2c(=O)c1cccc(OC)c1c(=O)c2c(O)c3[C@@H](O[C@H]4C[C@H](N(C)C)[C@H](O)[C@H](C)O4)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005403
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
    4.8497   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 10 13  1  6  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  2  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  2  0  0  0  0
 34 23  2  0  0  0  0
 35  6  1  0  0  0  0
 36 35  1  0  0  0  0
 36  2  1  0  0  0  0
 36 37  1  1  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005403-3D
FYIcenter.com

 74 78  0  0  1  0  0  0  0  0999 V2000
    3.4412   -4.4735   -2.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2164   -1.3443    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382   -0.8430    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4817   -1.4201   -0.6132 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9152    0.2758    0.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2559    0.9012    0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2025    0.3475    0.3189 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4689    2.2581    1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6640    2.9186    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9388    4.1751    1.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    4.7583    2.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8382    4.1113    2.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8087    5.0483    3.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5399    2.8485    2.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3316    2.0567    2.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5376    2.3885    3.4902 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9951    0.8431    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5009    1.5589    1.7864 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1787    1.8932    3.0743 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924    0.8949    4.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867    3.1985    3.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2442    2.6114    0.6599 C   0  0  2  0  0  0  0  0  0  0  0  0
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 39 74  1  0  0  0  0
M  END
$$$$