Molecule FYI-1007557

A

Molecule Summary:

ID: FYI-1007557
Names:
InChIKey: ZLRJIWCKOYOIAS-GIJQJNRQSA-Q
SMILES: OCC(O)C(O)C(O)C(O)/C=N/NC3=[N+]=C(N1CCOCC1)[NH+]=C(N2CCOCC2)[NH2+]3

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007557 Edit

Molecule Structure InChIKey: ZLRJIWCKOYOIAS-GIJQJNRQSA-Q

Molecule Structure SMILES String: OCC(O)C(O)C(O)C(O)/C=N/NC3=[N+]=C(N1CCOCC1)[NH+]=C(N2CCOCC2)[NH2+]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007557
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   16.9740    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007557-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
    5.0645   -6.7186   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727   -7.5125    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088   -8.1432    1.3250 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9141   -8.8217    0.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451   -7.0876    2.4050 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.0661   -8.2623    3.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6707   -7.3117    5.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-17, 193👍, 0💬