Molecule FYI-1003308

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A

Molecule Summary:

ID: FYI-1003308
Names:
InChIKey: HBDNCYGCSNEHBF-UHFFFAOYSA-N
SMILES: Oc3cccc(c2nnc(c1ccccc1O)o2)c3O

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003308 Edit

Molecule Structure InChIKey: HBDNCYGCSNEHBF-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3cccc(c2nnc(c1ccccc1O)o2)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003308
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.8273    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2599    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273    5.6986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    7.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2959    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0424    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2576    1.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    7.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003308-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    0.3006   -0.3958    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1717    1.9399    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.1081   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6225    0.6761   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438    1.7137   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    1.7485    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606   -0.1856   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -0.0713    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715    0.4428   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.4957    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290    0.5762   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -1.5784   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4730   -0.0549    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8044   -1.4584    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3799   -2.2095    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5484   -1.4477    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0608    0.1821   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -2.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -1.2051   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2507   -2.2091   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9514   -2.1322    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4391   -3.2940    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5108   -1.9526    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491    0.8082   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934   -3.1054   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1993   -1.6467   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0806    2.2870    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    2.5023   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3835    0.0704   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
$$$$

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2023-06-19, 1653👍, 0💬