Molecule FYI-1005121

A

Molecule Summary:

ID: FYI-1005121
Names:
InChIKey: HGRDLBNVPONHEI-NQXIECBCSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H](OC(=O)c1cc(O)cc(O)c1)CCC[C@]23C

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005121 Edit

Molecule Structure InChIKey: HGRDLBNVPONHEI-NQXIECBCSA-N

Molecule Structure SMILES String: CC(C)CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H](OC(=O)c1cc(O)cc(O)c1)CCC[C@]23C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005121
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
   16.1416    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9291    6.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7167    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5043    6.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2919    5.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5880    6.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    5.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9 10  1  6  0  0  0
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
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 17 18  1  6  0  0  0
 13 19  1  6  0  0  0
 20 19  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005121-3D
FYIcenter.com

 67 69  0     1  0  0  0  0  0999 V2000
   -1.9460    0.8305   -0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2271👍, 0💬