Molecule Editor

Molecule ID: FYI-1010502 Edit

Molecule Structure InChIKey: RSCCOSJRFRSZJU-NTUHNPAUSA-N

Molecule Structure SMILES String: C/C(=C\COc2cccc(C(O)Cc1coc(C(=O)O)c1)c2O)CCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1010502
FYIcenter.com

 51 52  0  0  0  0  0  0  0  0999 V2000
    8.4871   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197   12.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1871   13.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   14.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7871   13.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406   16.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010502-3D
FYIcenter.com

 51 52  0  0  1  0  0  0  0  0999 V2000
   -0.0832   -0.9708   -0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -2.2789   -1.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3460   -2.3701   -2.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874   -1.2249   -2.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -1.6452   -3.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154   -0.7348   -3.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9755    0.6446   -3.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    1.4896   -4.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7326   -0.4213   -5.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$