Molecule FYI-1012678

A

Molecule Summary:

ID: FYI-1012678
Names:
InChIKey: JJTMRPKMAVUKAU-MREYKRLZSA-N
SMILES: O=C8CCCN7[C@H]6[C@@]49C=C(c2nccc3c1cc(O)ccc1[nH]c23)[C@@H]5CCN(CCCC/C=C\\CC4)C[C@@]56C[C@]7(CC8)O9

Received at FYIcenter.com on: 2024-10-09

Molecule ID: FYI-1012678 Edit

Molecule Structure InChIKey: JJTMRPKMAVUKAU-MREYKRLZSA-N

Molecule Structure SMILES String: O=C8CCCN7[C@H]6[C@@]49C=C(c2nccc3c1cc(O)ccc1[nH]c23)[C@@H]5CCN(CCCC/C=C\CC4)C[C@@]56C[C@]7(CC8)O9

Download SDF Download SVG Structure in 2D SDF:

FYI-1012678
FYIcenter.com

 43 51  0  0  1  0  0  0  0  0999 V2000
    8.1092   10.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2048   11.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256   12.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9915   12.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   11.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   10.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7654    9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2642    8.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332    6.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9227   13.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    7.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166    6.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166    5.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584    4.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364    3.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7665    3.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    4.4679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    2.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1942    1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503    2.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1584    7.3689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1224    6.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9089    5.0870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587    4.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6221    5.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0652    5.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1179    6.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349    9.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178   10.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4133   11.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7963   11.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8930   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5853    9.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6664    8.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0995    9.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4228    8.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023   10.7560    0.0000 O   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  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24 17  1  0  0  0  0
 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 14  1  0  0  0  0
  9 28  1  1  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 10 31  1  1  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34  8  1  0  0  0  0
 34 13  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 33  1  0  0  0  0
 41  7  1  0  0  0  0
 41  1  1  0  0  0  0
 42 41  1  0  0  0  0
 42  9  1  0  0  0  0
 41 43  1  1  0  0  0
 34 43  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012678-3D
FYIcenter.com

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