Molecule Editor

Molecule ID: FYI-1012169 Edit

Molecule Structure InChIKey: OJIXTCWHYBRFHL-UHFFFAOYSA-L

Molecule Structure SMILES String: CC3(C)C(OC1OC(C(=O)[O-])C(O)C(O)C1OC2OC(C(=O)[O-])C(O)C(O)C2O)CCC4(C)C3CCC7(C)C4C(=O)C=C6C5CC(C)(C(=O)O)CCC5(C)CCC67C.[Mg+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1012169
FYIcenter.com

 59 64  0  0  0  0  0  0  0  0999 V2000
    9.6208    9.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262   10.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846   12.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5507   13.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3091   14.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0012   15.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   14.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1768   12.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1105   11.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3523   10.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601   10.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9017    8.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8356    7.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1537    7.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0876    6.9105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6371    5.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1102    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8024    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606    3.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7361    1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3518    0.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4841    2.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8689   13.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6272   14.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   13.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4517   16.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8257   17.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5840   18.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761   19.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2100   18.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022   18.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6605   20.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7267   20.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345   20.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   21.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526   20.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   19.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   21.9299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3424   20.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   15.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1358   16.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0968   11.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1757    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 14  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 28  1  0  0  0  0
 35 27  1  0  0  0  0
 36 26  1  0  0  0  0
 37  8  1  0  0  0  0
 38  7  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 42  6  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 46 41  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
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 51 48  1  0  0  0  0
 52 48  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 55 45  1  0  0  0  0
 56 42  1  0  0  0  0
 57  6  1  0  0  0  0
 58  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012169-3D
FYIcenter.com

119124  0  0  1  0  0  0  0  0999 V2000
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   12.7413   -5.0861   -1.2821 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.7639   -4.3374   -2.2712 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7809   -5.0184   -2.9540 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7475   -6.3338   -2.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2153   -5.7760   -3.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9176    0.9402   -1.9536 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8749    2.0312   -1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9678   -3.3499   -2.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2049   -3.9524   -3.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$