Molecule FYI-1005687

A

Molecule Summary:

ID: FYI-1005687
Names:
InChIKey: XDXDZDZNSLXDNA-TZNDIEGXSA-N
SMILES: CC(=O)[C@]5(O)Cc3c(O)c2c(=O)c1ccccc1c(=O)c2c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C5

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005687 Edit

Molecule Structure InChIKey: XDXDZDZNSLXDNA-TZNDIEGXSA-N

Molecule Structure SMILES String: CC(=O)[C@]5(O)Cc3c(O)c2c(=O)c1ccccc1c(=O)c2c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005687
FYIcenter.com

 36 40  0  0  1  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
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    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
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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  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
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 11 34  1  6  0  0  0
  4 35  1  1  0  0  0
  3 36  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005687-3D
FYIcenter.com

 63 67  0     1  0  0  0  0  0999 V2000
    2.1882    0.6054    0.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5233    0.4846   -0.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -4.0880    0.8723 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030    4.5908    0.3694 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -0.6442   -0.3599 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3106    2.5399   -0.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0940    2.4978    0.9291 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9473    0.9691    0.9484 C   0  0  2  0  0  0  0  0  0  0  0  0
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 36 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1910👍, 0💬