Molecule FYI-1007894

A

Molecule Summary:

ID: FYI-1007894
Names:
InChIKey: GDTYUFGDRIZEFP-JVWSRBALSA-N
SMILES: CC(O)/C=C/C=C/C=C/NC(C)C(=O)CC(=O)/C=C/CC(O)C(C)C(O)CC(O)CC(O)CC(O)/C=C/C=C/C(=O)O

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007894 Edit

Molecule Structure InChIKey: GDTYUFGDRIZEFP-JVWSRBALSA-N

Molecule Structure SMILES String: CC(O)/C=C/C=C/C=C/NC(C)C(=O)CC(=O)/C=C/CC(O)C(C)C(O)CC(O)CC(O)CC(O)/C=C/C=C/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007894
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
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 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
  1 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007894-3D
FYIcenter.com

 89 88  0  0  1  0  0  0  0  0999 V2000
   25.5722   -1.8482  -15.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.4852   -0.2852  -14.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5589   -0.4431  -13.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4570    0.4690  -12.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5315    0.3069  -11.9812 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    1.2282  -11.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5254    1.0653  -10.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-04-14, 1504👍, 0💬