Molecule FYI-1002626

A

Molecule Summary:

ID: FYI-1002626
Names:
InChIKey: YQODTKQJPQYGAY-WYMLVPIESA-N
SMILES: CC14CCC(=O)C=C1CCC3C2CC/C(=C\\C(=O)O)C2(C)CCC34

Received at FYIcenter.com on: 2023-04-16

Molecule ID: FYI-1002626 Edit

Molecule Structure InChIKey: YQODTKQJPQYGAY-WYMLVPIESA-N

Molecule Structure SMILES String: CC14CCC(=O)C=C1CCC3C2CC/C(=C\C(=O)O)C2(C)CCC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002626
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.0877    0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4571    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7632    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002626-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
    6.2717   -0.3497   -0.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7099   -0.7399    1.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    1.0296    0.2497 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.0328    0.6968   -1.3172 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0824   -0.6171    0.1083 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-17, 273👍, 0💬