Molecule Editor

Molecule ID: FYI-1005461 Edit

Molecule Structure InChIKey: KBIUSJRYMLTVOW-ZFFBENFFSA-N

Molecule Structure SMILES String: C/C(C)=C/CC[C@@]2(C)Oc5c(C(=O)/C=C/c1ccccc1)c(O)cc4O[C@]3(C)CC[C@H]2[C@@H](C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005461
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    5.9790    6.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    6.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980    8.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299    8.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299   10.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239   11.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180   10.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8120   11.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060   10.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    8.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5176    4.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1467    1.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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  6 13  1  6  0  0  0
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 17 16  1  0  0  0  0
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 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  6  0  0  0
 22 14  1  0  0  0  0
 15 23  2  0  0  0  0
 24 22  1  0  0  0  0
 24  4  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  3  1  0  0  0  0
 28 27  1  0  0  0  0
 29  2  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005461-3D
FYIcenter.com

 68 72  0     1  0  0  0  0  0999 V2000
   -4.5095   -1.1269    1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    0.2957   -0.7041 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0764    2.4024   -1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$