Molecule FYI-1004118

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A

Molecule Summary:

ID: FYI-1004118
Names:
InChIKey: LJXFKPHATYOKBB-UHFFFAOYSA-N
SMILES: CC(=O)C1C(=O)C(C(C)O)C1N

Received at FYIcenter.com on: 2023-08-13

Molecule ID: FYI-1004118 Edit

Molecule Structure InChIKey: LJXFKPHATYOKBB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C1C(=O)C(C(C)O)C1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1004118
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.5645    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    3.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    5.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0873    4.6647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    0.5251    0.0000 N   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  7  1  0  0  0  0
 12 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004118-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    1.3222   -0.1004   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    0.1238   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952    1.2579    0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3019   -1.0079    0.3953 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9820   -2.4186   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -2.8559   -1.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -3.0610    1.2223 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8471   -3.5464    1.2801 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1769   -4.1184    2.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -4.5495    0.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632   -1.6301    1.8193 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7816   -1.5655    2.3192 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    0.8628   -1.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301   -0.7299   -0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7587   -0.5519   -1.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3464   -0.7485    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937   -3.8338    1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5421   -2.7289    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318   -4.9713    2.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -3.3687    3.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072   -4.4891    2.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5052   -5.3203    0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.2877    2.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0334   -1.9139    1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -0.6371    2.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1971👍, 0💬