Molecule FYI-1010561

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A

Molecule Summary:

ID: FYI-1010561
Names:
InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
SMILES: NCCc1ccc(O)c(O)c1

Received at FYIcenter.com on: 2024-06-21

Molecule ID: FYI-1010561 Edit

Molecule Structure InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1ccc(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010561
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  9  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010561-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -2.2392    1.9626    0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -0.5612    0.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081    0.2624    0.3445 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1628   -0.0212   -0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040   -0.1603   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    0.1008    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.9759   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434   -1.4267   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642    0.8456   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209   -1.5570    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.4208    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -0.8817   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3332    0.8564   -1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490   -0.7888    1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    0.9593    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3315    1.9659   -0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7594   -2.3195   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6445   -2.5496    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    1.0868   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7362   -0.5285   -0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541    1.6866    0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639   -1.5074    0.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1054👍, 0💬