Molecule Editor

Molecule ID: FYI-1012845 Edit

Molecule Structure InChIKey: HWPZQRVYXDPQAQ-AVPCQDQRSA-N

Molecule Structure SMILES String: CCC(C)C(=O)O[C@@H]5[C@@H]4C=C3C2=CC(=O)O[C@@H](c1ccoc1)[C@]2(C)CC[C@@H]3[C@@](C)(C4=O)[C@@H](C(O)C(=O)OC)C5(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012845
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    2.3940   11.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   10.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910    9.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    8.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    8.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    7.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910    6.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999    7.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088    6.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910    5.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9751    1.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3693    4.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6319    3.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5569    4.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8658    5.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1723    4.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9851    9.2148    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  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
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 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 21  6  1  0  0  0  0
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 21 23  1  1  0  0  0
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 38 23  1  0  0  0  0
 39 38  2  0  0  0  0
 18 39  1  1  0  0  0
 26 40  1  6  0  0  0
 41  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012845-3D
FYIcenter.com

 81 85  0     1  0  0  0  0  0999 V2000
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M  END
$$$$