Molecule FYI-1005083

A

Molecule Summary:

ID: FYI-1005083
Names:
InChIKey: HAEASLGCURQOQM-HWKANZROSA-N
SMILES: COc1cc(/C=C/C(=O)OCC(O)CO)ccc1OC3C(O)C(CO)OC(Oc2c(N)[nH]c(=O)[nH]c2=O)C3O

Received at FYIcenter.com on: 2023-10-12

Molecule ID: FYI-1005083 Edit

Molecule Structure InChIKey: HAEASLGCURQOQM-HWKANZROSA-N

Molecule Structure SMILES String: COc1cc(/C=C/C(=O)OCC(O)CO)ccc1OC3C(O)C(CO)OC(Oc2c(N)[nH]c(=O)[nH]c2=O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005083
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 31  2  0  0  0  0
 39 28  2  0  0  0  0
 39  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005083-3D
FYIcenter.com

 68 70  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-10-27, 1272👍, 0💬