Molecule FYI-1005084

A

Molecule Summary:

ID: FYI-1005084
Names:
InChIKey: WZNODCXQQYFJTG-HWKANZROSA-N
SMILES: COc1cc(/C=C/C(=O)OCC(O)CO)ccc1OC3C(O)C(CO)OC(Oc2c(N)nc(N)[nH]c2=O)C3O

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

Molecule ID: FYI-1005084 Edit

Molecule Structure InChIKey: WZNODCXQQYFJTG-HWKANZROSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005084
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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  9  1  0  0  0  0
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 18  7  2  0  0  0  0
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 19  4  1  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 31 30  1  0  0  0  0
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 32 31  2  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 34  1  0  0  0  0
 37 20  1  0  0  0  0
 38 37  1  0  0  0  0
 39 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005084-3D
FYIcenter.com

 69 71  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-10-27, 2087👍, 0💬