Molecule FYI-1005400

A

Molecule Summary:

ID: FYI-1005400
Names:
InChIKey: XDXDZDZNSLXDNA-UHFFFAOYSA-N
SMILES: CC(=O)C5(O)Cc3c(O)c2c(=O)c1ccccc1c(=O)c2c(O)c3C(OC4CC(N)C(O)C(C)O4)C5

Received at FYIcenter.com on: 2023-10-27

Molecule ID: FYI-1005400 Edit

Molecule Structure InChIKey: XDXDZDZNSLXDNA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C5(O)Cc3c(O)c2c(=O)c1ccccc1c(=O)c2c(O)c3C(OC4CC(N)C(O)C(C)O4)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005400
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   13.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   14.6999    0.0000 O   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
  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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 34 11  1  0  0  0  0
 35  4  1  0  0  0  0
 36  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005400-3D
FYIcenter.com

 63 67  0  0  1  0  0  0  0  0999 V2000
    0.9270    0.1729   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    0.3211   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420   -0.1326    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2611    1.1004   -1.0660 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4735    1.6991   -2.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2594    1.6638    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2620    3.7750    1.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8444    2.1236    2.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4639    3.0837    3.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2074    4.2858    3.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    2.6114    4.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    3.5218    5.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    3.0991    5.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4405    1.7669    5.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8677    0.8565    4.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8846    1.2814    4.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2987    0.3344    3.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6448   -0.8411    3.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869    0.8000    2.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7488   -0.0839    1.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
$$$$

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2023-11-02, 2225👍, 0💬