Molecule FYI-1001054

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Molecule Summary:

ID: FYI-1001054
SMILES: COc1cccc2c(=O)n(O)c(=O)c12

Received at FYIcenter.com on: 2021-11-16

Molecule ID: FYI-1001054 Edit

Molecule Structure SMILES String: COc1cccc2c(=O)n(O)c(=O)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001054
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669    0.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5959    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    2.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4282    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  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
 14  3  1  0  0  0  0
 14  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001054-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.3870   -0.2627   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221    0.1788    0.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095   -0.7721    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -2.1279    0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193   -3.0618    1.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760   -2.6666    2.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159   -1.3283    2.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2655   -0.6422    2.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1205   -1.1518    3.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1450    0.6496    2.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0512    1.6222    2.8015 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0271    0.9128    1.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.9724    1.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573   -0.3938    1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607    0.5977   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6177   -0.6623    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -1.0038   -1.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606   -2.5031    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -4.1042    1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863   -3.3730    2.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6622    1.1100    3.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

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