Molecule Editor

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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    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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
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   -4.5997   -1.7865    1.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
    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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    0.1621   -0.6918   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489   -1.8524    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687    1.0127   -0.7675 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7715    3.1398    0.4871 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
   -0.6402    0.4192   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$