Molecule FYI-1013890

A

Molecule Summary:

ID: FYI-1013890
Names:
InChIKey: XWLXKKNPFMNSFA-WNKXOLDHSA-N
SMILES: CCC(C)(C)C(=O)O[C@@H]2C[C@H](C)C=C1C=C[C@@H](C)[C@@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]12

Received at FYIcenter.com on: 2025-02-09

Molecule ID: FYI-1013890 Edit

Molecule Structure InChIKey: XWLXKKNPFMNSFA-WNKXOLDHSA-N

Molecule Structure SMILES String: CCC(C)(C)C(=O)O[C@@H]2C[C@H](C)C=C1C=C[C@@H](C)[C@@H](CC[C@H](O)C[C@H](O)CC(=O)O)[C@@H]12

Download SDF Download SVG Structure in 2D SDF:

FYI-1013890
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7249    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 19  1  0  0  0  0
 31 14  1  1  0  0  0
 31  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013890-3D
FYIcenter.com

 71 72  0     1  0  0  0  0  0999 V2000
   -2.2672    1.0098   -0.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502   -1.8826   -2.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021    2.3537   -1.9455 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    1.2557   -0.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941    0.1752    1.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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