Molecule FYI-1007054

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A

Molecule Summary:

ID: FYI-1007054
Names:
InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES: Oc2ccc(/C=C/c1cc(O)cc(O)c1)cc2

Received at FYIcenter.com on: 2024-01-27

Molecule ID: FYI-1007054 Edit

Molecule Structure InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

Molecule Structure SMILES String: Oc2ccc(/C=C/c1cc(O)cc(O)c1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007054
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4249    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
    2.4249    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
    2.4249    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
   10.9120    6.3000    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  7  2  0  0  0  0
  9  8  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007054-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
   -4.8060   -2.1619   -0.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010    2.4953    0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2037   -0.3631    0.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -0.2540    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    0.2574   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763   -0.4793    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6650    0.4755   -0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2240    1.0281    0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   -1.3290   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593   -1.1159   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023    1.2414    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -0.8654    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.1719   -0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698    0.1693   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -1.0739    0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451    0.9632   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8590   -0.1596    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093   -1.5130    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752    1.4977   -0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5829    1.8840    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858   -2.3318   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849   -1.5927    1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    2.0524   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451    0.3285   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829   -1.9498    1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    1.6788   -1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -2.9751   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0717    2.4585    0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814   -1.1862    0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1507👍, 0💬