Molecule FYI-1006988

A

Molecule Summary:

ID: FYI-1006988
Names:
InChIKey: NLDDIKRKFXEWBK-AWEZNQCLSA-N
SMILES: CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006988 Edit

Molecule Structure InChIKey: NLDDIKRKFXEWBK-AWEZNQCLSA-N

Molecule Structure SMILES String: CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006988
FYIcenter.com

 47 47  0  0  1  0  0  0  0  0999 V2000
   11.6978    9.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627   11.7348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0221   18.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   17.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627    6.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627    8.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6978    5.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6276    9.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6978    3.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6276   10.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2329    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923   11.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0923   13.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572   14.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4870   16.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  1  0  0  0
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 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
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 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 38  1  0  0  0  0
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 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006988-3D
FYIcenter.com

 47 47  0     1  0  0  0  0  0999 V2000
    3.6966    1.8593   -0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161    1.1038   -1.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5607   -2.0581   -0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8933   -0.0103    1.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4402   -0.3104    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340    0.4810   -0.2080 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8090   -0.1047   -0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651    0.3258    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9416   -0.8553    0.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    0.7074   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3194   -0.6018   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    0.5285    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4122   -1.3128    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6962   -0.6205   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8098   -3.0539   -0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  3 18  1  0  0  0  0
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  9 30  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 38  1  0  0  0  0
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 21 47  1  0  0  0  0
M  END
$$$$

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2024-01-31, 239👍, 0💬