Molecule Editor

Molecule ID: FYI-1012837 Edit

Molecule Structure InChIKey: REGMTKDMXZIUJP-FOBOPAEZSA-N

Molecule Structure SMILES String: C/C=C(C)/C(=O)O[C@@H]4[C@@H]5CC3=C2CC(=O)O[C@@H](c1ccoc1)[C@]2(C)CC[C@@H]3[C@]6(C)[C@@H](C(O)C(=O)OC)[C@]4(C)CO[C@]56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012837
FYIcenter.com

 42 47  0  0  1  0  0  0  0  0999 V2000
    6.4463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5406    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118    1.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    4.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9985    3.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9985    1.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273    3.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3889    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3216    5.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    5.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0295    8.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3691    9.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133    2.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    8.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    9.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0376   10.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3731   10.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481   12.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3772   12.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6631   13.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5107   14.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5127   13.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7086   10.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6424    7.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    4.2570    0.0000 O   0  0  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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
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 37 36  2  0  0  0  0
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 17 40  1  1  0  0  0
 11 41  1  6  0  0  0
 42  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012837-3D
FYIcenter.com

 82 87  0  0  1  0  0  0  0  0999 V2000
   18.5434    9.0975    9.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8041    7.8976    8.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5659    7.4278    8.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9442    8.2219   10.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5842    6.2478    8.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4913    6.2097    9.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9454    5.2452    7.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2250    3.7779    6.9233 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5520    2.6895    5.2518 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4829    2.0767    3.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2441    3.0954    2.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9406    3.3463    1.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8300    3.6958   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6269    5.8631   -1.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0901    6.2569    0.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3457    4.8981    4.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$