Molecule FYI-1004258

A

Molecule Summary:

ID: FYI-1004258
Names:
InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-O
SMILES: COc4cccc5c(=O)c3c(O)c2C[C@@](O)(C(=O)CO)C[C@H](O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1)c2c(O)c3c(=O)c45

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004258 Edit

Molecule Structure InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-O

Molecule Structure SMILES String: COc4cccc5c(=O)c3c(O)c2C[C@@](O)(C(=O)CO)C[C@H](O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1)c2c(O)c3c(=O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004258
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  6  0  0  0
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 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 11 37  1  6  0  0  0
  4 38  1  1  0  0  0
  3 39  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004258-3D
FYIcenter.com

 69 73  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-09-16, 2186👍, 0💬