Molecule Editor

Molecule ID: FYI-1016752 Edit

Molecule Structure InChIKey: SQMVALWNXYCWOU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC3OC(c1ccc(C)cc1)OC4C(C(O)CO)OC(c2ccc(C)cc2)OC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1016752
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.9119    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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
    7.2746    2.1000    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
    6.0622    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22  6  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  4  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016752-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    0.6854    1.3681   -0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1857    1.5910   -0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9802    0.3302   -1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097    0.5307   -1.2874 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0853   -0.7312   -1.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5196   -0.7142   -1.7118 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0835    0.0973   -2.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3265    0.7413   -2.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7734    1.6024   -3.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050    1.8049   -4.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    2.7915   -5.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8119    1.0903   -5.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3613    0.2373   -4.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558   -0.3582   -0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    0.9343   -0.0245 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1609    1.3505    1.3498 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7038    1.3851    1.3771 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1970    2.3114    0.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2355    1.7855    2.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6626    1.7915    2.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6624    2.6648    1.6703 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2330    2.7164    1.6310 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7383    4.1282    1.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    5.2492    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    6.5427    1.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    6.7422    2.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    8.1237    2.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    5.6276    2.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.3358    2.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162    2.3169    0.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4133   -0.2834   -4.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$