Molecule FYI-1004908

A

Molecule Summary:

ID: FYI-1004908
Names:
InChIKey: WOXKDUGGOYFFRN-UHFFFAOYSA-N
SMILES: CN6CC(=O)N3C(Cc1c([nH]c2ccccc12)C3c5ccc4OCOc4c5)C6=O

Received at FYIcenter.com on: 2023-09-28

Molecule ID: FYI-1004908 Edit

Molecule Structure InChIKey: WOXKDUGGOYFFRN-UHFFFAOYSA-N

Molecule Structure SMILES String: CN6CC(=O)N3C(Cc1c([nH]c2ccccc12)C3c5ccc4OCOc4c5)C6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004908
FYIcenter.com

 29 34  0  0  0  0  0  0  0  0999 V2000
   10.6414    8.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    8.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    8.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    8.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    8.8274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    6.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    6.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    6.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    8.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    8.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3208    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7513    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5359    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  2  0  0  0  0
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 11 10  1  0  0  0  0
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 23 12  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 11  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004908-3D
FYIcenter.com

 48 53  0     1  0  0  0  0  0999 V2000
    3.0170    2.6159   -1.0556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725    2.8003    1.6919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1896   -0.5585   -1.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3114   -1.8458   -0.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3249   -1.6287    1.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604    3.8682    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588    1.7256   -0.9758 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2593    0.3065    0.9649 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3027    0.4144   -1.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5935    2.7729    0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5852   -2.0886   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2182   -0.0877   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -1.0400    1.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544   -3.3452    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$

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2023-10-11, 2436👍, 0💬