Molecule FYI-1006794

A

Molecule Summary:

ID: FYI-1006794
Names:
InChIKey: PXUQTDZNOHRWLI-OXUVVOBNSA-O
SMILES: COc4cc(c2[o+]c1cc(O)cc(O)c1cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c4O

Received at FYIcenter.com on: 2024-01-17

Molecule ID: FYI-1006794 Edit

Molecule Structure InChIKey: PXUQTDZNOHRWLI-OXUVVOBNSA-O

Molecule Structure SMILES String: COc4cc(c2[o+]c1cc(O)cc(O)c1cc2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006794
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   12.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006794-3D
FYIcenter.com

 60 63  0     1  0  0  0  0  0999 V2000
    0.6196    1.8515   -0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808    0.5570    1.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    3.9702    1.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849    5.0077   -1.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-24, 228👍, 0💬