Molecule Editor

Molecule ID: FYI-1003826 Edit

Molecule Structure InChIKey: MOCOVNGOINOTNW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CC(=O)C(O)C5(C)C1CC3OC(=O)C(O)C4(O)C2(CO2)C(O)C6(O)OCC34C56

Download SDF Download SVG Structure in 2D SDF:

FYI-1003826
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.7314    8.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    7.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8656    6.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    5.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4173    4.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    5.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4016    6.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367    5.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    3.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    3.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6907    1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7420    1.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3916    1.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    0.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0663    4.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2860    4.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6753    1.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9462    3.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701    3.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  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
 12 11  1  0  0  0  0
 12  7  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 20 10  1  0  0  0  0
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 22 16  1  0  0  0  0
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 24 23  1  0  0  0  0
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 25 14  1  0  0  0  0
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 27 26  1  0  0  0  0
 27 11  1  0  0  0  0
 28 13  1  0  0  0  0
 29  7  1  0  0  0  0
 30  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003826-3D
FYIcenter.com

 54 59  0  0  1  0  0  0  0  0999 V2000
    1.6622    1.5886    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841    0.7667   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    1.3503   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434    0.5829   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292    0.9047   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798   -0.5514   -1.8930 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0268   -1.1952   -2.1906 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824   -1.5447   -1.3375 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4400   -2.5385   -0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -0.5937   -0.6304 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4362   -1.3384   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -1.2268   -1.4199 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -1.5527   -2.0286   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -1.3720   -2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2021   -2.8565   -3.4255 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.7151   -5.5014   -3.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2354   -1.8803   -2.6814 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$