Molecule FYI-1013313

A

Molecule Summary:

ID: FYI-1013313
Names:
InChIKey: WIQITBYIZRCLAH-UHFFFAOYSA-N
SMILES: COc4cccc5c(=O)c3c(O)c2CC(O)(C(=O)CO)CC(OC1OCC(N)C(O)C1C)c2c(O)c3c(=O)c45

Received at FYIcenter.com on: 2024-12-08

Molecule ID: FYI-1013313 Edit

Molecule Structure InChIKey: WIQITBYIZRCLAH-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cccc5c(=O)c3c(O)c2CC(O)(C(=O)CO)CC(OC1OCC(N)C(O)C1C)c2c(O)c3c(=O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1013313
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   12.1244    9.1000    0.0000 O   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
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    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
    4.8498    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 36  2  0  0  0  0
 38 19  1  0  0  0  0
 39 38  1  0  0  0  0
 39  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013313-3D
FYIcenter.com

 68 72  0  0  1  0  0  0  0  0999 V2000
    3.3276    1.1993    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4879   -6.0560   -2.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1008   -7.2510   -1.7125 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3264   -6.7546   -6.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6388   -6.4895   -8.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-12-18, 809👍, 0💬