Molecule Editor

Molecule ID: FYI-1012197 Edit

Molecule Structure InChIKey: VNNHJRDFAKPJHC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC4CC(C)C(C)(C2CC1CC(O)OC1O2)C5CC6CC3(CO3)C45C(O)O6

Download SDF Download SVG Structure in 2D SDF:

FYI-1012197
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    5.9847    2.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8236    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    2.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6088    4.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3406    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1795    0.0000    0.0000 C   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  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 18  6  1  0  0  0  0
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 21 20  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
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 26 25  1  0  0  0  0
 27  4  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012197-3D
FYIcenter.com

 62 67  0  0  1  0  0  0  0  0999 V2000
    0.5145   -0.2222   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4478    0.4407   -1.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397   -0.0739    0.8559 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907    0.4059    0.9056 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.8085    0.8669   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5611    1.1030    2.7892 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$