Molecule FYI-1004064

A

Molecule Summary:

ID: FYI-1004064
Names:
InChIKey: PRYHOGCYPICMAJ-SSXBUVCOSA-N
SMILES: CC[C@@H]5CN4CCc2c([nH]c3cccc(O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c23)[C@@H]4C[C@@H]5/C(=C\\OC)C(=O)OC

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004064 Edit

Molecule Structure InChIKey: PRYHOGCYPICMAJ-SSXBUVCOSA-N

Molecule Structure SMILES String: CC[C@@H]5CN4CCc2c([nH]c3cccc(O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c23)[C@@H]4C[C@@H]5/C(=C\OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004064
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
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    3.6075   14.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   14.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923   13.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   11.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   11.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235   10.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37  3  1  0  0  0  0
  6 38  1  1  0  0  0
  5 39  1  6  0  0  0
  4 40  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004064-3D
FYIcenter.com

 76 80  0  0  1  0  0  0  0  0999 V2000
   16.3136   13.3230    2.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3246   12.9464    3.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1569   11.1476    1.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6344    9.8015    1.6127 N   0  0  3  0  0  0  0  0  0  0  0  0
   12.6681    9.6163    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1784    9.4330    0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0774    8.5345    2.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8560    7.2089    3.6681 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4838    7.0985    3.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7518    7.3104    3.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-09-05, 2334👍, 0💬