Molecule FYI-1003363

A

Molecule Summary:

ID: FYI-1003363
Names:
InChIKey: AOJJSUZBOXZQNB-UHFFFAOYSA-N
SMILES: COc4cccc5c(=O)c3c(O)c2CC(O)(C(=O)CO)CC(OC1CC(N)C(O)C(C)O1)c2c(O)c3c(=O)c45

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003363 Edit

Molecule Structure InChIKey: AOJJSUZBOXZQNB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cccc5c(=O)c3c(O)c2CC(O)(C(=O)CO)CC(OC1CC(N)C(O)C(C)O1)c2c(O)c3c(=O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003363
FYIcenter.com

 39 43  0  0  0  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
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   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
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 30 31  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003363-3D
FYIcenter.com

 68 72  0  0  1  0  0  0  0  0999 V2000
    3.3768    0.7991    0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7980   -3.3743   -4.6796 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837   -2.0359   -4.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4023   -2.4816   -5.7761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -3.4374   -6.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367   -1.9309   -6.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0360   -1.3312   -8.4389 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5670   -1.8906   -9.6405 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9091    0.1582   -8.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37 38  2  0  0  0  0
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M  END
$$$$

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2023-07-01, 1944👍, 0💬