Molecule FYI-1012167

A

Molecule Summary:

ID: FYI-1012167
Names:
InChIKey: OJIXTCWHYBRFHL-LEEOIRFPSA-L
SMILES: CC3(C)[C@@H](O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]4(C)[C@H]3CC[C@]7(C)[C@@H]4C(=O)C=C6[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]67C.[Mg+2]

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012167 Edit

Molecule Structure InChIKey: OJIXTCWHYBRFHL-LEEOIRFPSA-L

Molecule Structure SMILES String: CC3(C)[C@@H](O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]4(C)[C@H]3CC[C@]7(C)[C@@H]4C(=O)C=C6[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]67C.[Mg+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1012167
FYIcenter.com

 59 64  0  0  1  0  0  0  0  0999 V2000
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   10.1921    2.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8145    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7466    1.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9887    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4367    1.8495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.3664    0.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020    2.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    4.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   13.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257   21.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3578   20.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2901   19.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159   21.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1900    0.0000 Mg  0  2  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
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  6  5  1  0  0  0  0
  7  6  1  1  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 11 10  2  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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  5 55  1  6  0  0  0
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 57 56  2  0  0  0  0
 58 56  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012167-3D
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