Molecule FYI-1013552

A

Molecule Summary:

ID: FYI-1013552
Names:
InChIKey: HQLLRHCTVDVUJB-OBHOOXMTSA-N
SMILES: C[C@@H]3C[C@H]1OC(=O)[C@@]2(C)CCC[C@@](C)([C@@H]12)[C@@]3(O)CCc4ccoc4

Received at FYIcenter.com on: 2025-01-07

Molecule ID: FYI-1013552 Edit

Molecule Structure InChIKey: HQLLRHCTVDVUJB-OBHOOXMTSA-N

Molecule Structure SMILES String: C[C@@H]3C[C@H]1OC(=O)[C@@]2(C)CCC[C@@](C)([C@@H]12)[C@@]3(O)CCc4ccoc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013552
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
    7.1746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9651    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5459    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5459    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331    3.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9651    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1746    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3843    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5938    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8697    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8043    3.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1746    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176    0.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773    2.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 19  1  6  0  0  0
 10 20  1  1  0  0  0
 21  6  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
  4 23  1  1  0  0  0
  6 24  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013552-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
   -3.0714   -1.3733    1.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501   -0.0026   -1.9812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6228    0.1614    1.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2827    0.8346    0.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069    0.5934   -0.0654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0911   -0.1685   -0.5202 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4419   -0.2559   -0.5782 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4306    0.4939   -0.1676 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2258   -1.5518    0.0923 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2837   -1.8159   -0.3701 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8491    2.0240   -0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2535    2.6049   -0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132    0.8031    1.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    0.2057    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2485   -2.6239   -1.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520   -0.4697   -0.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511   -0.0204    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  2  0  0  0  0
  4 23  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
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  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 18  1  0  0  0  0
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  9 26  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 20  1  0  0  0  0
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 16 40  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1311👍, 0💬