Molecule FYI-1001144

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Molecule Summary:

ID: FYI-1001144
SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

Received at FYIcenter.com on: 2022-02-02

Molecule ID: FYI-1001144 Edit

Molecule Structure SMILES String: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001144
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 O   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
    4.8497    5.6000    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
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001144-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.7296   -0.4225    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5165    0.7432    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200    1.7438   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806    1.4838   -1.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107    0.3263   -1.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1807   -0.6174   -0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357   -1.7515   -0.9694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077    2.3019   -3.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2559    2.9845   -0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227    3.9909   -1.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    5.1862   -1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0834    6.2564   -1.8198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1921    4.9529   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3508    5.7273   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4116    5.3186    0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2754    4.1624    1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0922    3.4197    1.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0514    3.8109    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    3.0294    0.4792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3156    3.7003    2.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5230    6.8461   -0.9327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0175    3.9849   -2.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251   -1.1558    0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    0.8473    0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0208    0.1934   -2.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -1.7370   -1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502    2.9225   -3.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3355    5.8876    0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0178    2.5180    2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0852    4.2786    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6740    7.0464   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4166    4.7942   -3.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$

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2022-04-13, 1472👍, 0💬