Molecule FYI-1004398

A

Molecule Summary:

ID: FYI-1004398
Names:
InChIKey: NTHMRCSVZGCOOO-KBHPONFASA-N
SMILES: CC[C@@H]4CN3CCc1c([nH]c2cccc(O)c12)[C@@H]3C[C@@H]4/C(=C\\OC)C(=O)O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004398 Edit

Molecule Structure InChIKey: NTHMRCSVZGCOOO-KBHPONFASA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CCc1c([nH]c2cccc(O)c12)[C@@H]3C[C@@H]4/C(=C\OC)C(=O)O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004398
FYIcenter.com

 39 43  0  0  1  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  6  5  1  0  0  0  0
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 37 36  1  0  0  0  0
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 39 14  1  0  0  0  0
 39 33  1  1  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004398-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1862👍, 0💬