Molecule Editor

Molecule ID: FYI-1015933 Edit

Molecule Structure InChIKey: KTJCUOREXDWOAR-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC3OC(OC2C(O)OC(OC1C(O)C(O)COC1CO)C(O)C2CO)C(O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015933
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6474    3.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092    3.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0506    2.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0212    4.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 17 27  1  0  0  0  0
 16 28  1  0  0  0  0
 12 29  1  0  0  0  0
  9 30  1  0  0  0  0
  1 31  1  0  0  0  0
  6 32  1  0  0  0  0
  5 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015933-3D
FYIcenter.com

 65 67  0  0  1  0  0  0  0  0999 V2000
    2.7901    4.0425   -6.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892    4.6206   -6.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3566    3.7282   -6.3243 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0633    3.5729   -4.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8962    2.6509   -4.2168 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4416    2.5543   -2.8498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5913    3.7801   -2.0903 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0672    4.1860   -1.8907 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1900    5.3980   -1.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    3.1403   -1.2804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    2.7046   -0.0077 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9955    3.4537    1.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534    3.3619    0.9857 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0092    1.9309    1.2256 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2155    1.7347    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    1.5816    2.7019 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0018    0.3638    2.8066 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2716    3.9149    3.2889 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    4.3635    1.9215 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5798    5.7628    1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609    6.6378    2.6775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964    2.5986    0.1372 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3880    2.6204    1.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$