Molecule FYI-1005331

A

Molecule Summary:

ID: FYI-1005331
Names:
InChIKey: PSGAAPLEWMOORI-WPKFHUQESA-N
SMILES: CC(=O)O[C@]4(C(C)=O)CC[C@H]3[C@@H]2C[C@H](C)C1=CC(=O)CCC1(C)[C@H]2CC[C@@]34C

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005331 Edit

Molecule Structure InChIKey: PSGAAPLEWMOORI-WPKFHUQESA-N

Molecule Structure SMILES String: CC(=O)O[C@]4(C(C)=O)CC[C@H]3[C@@H]2C[C@H](C)C1=CC(=O)CCC1(C)[C@H]2CC[C@@]34C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005331
FYIcenter.com

 28 31  0  0  1  0  0  0  0  0999 V2000
    5.0449    4.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    1.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9796    0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3490    0.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078    2.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078    4.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9202    4.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954    4.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3062    5.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
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 17 16  1  1  0  0  0
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 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 20 28  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005331-3D
FYIcenter.com

 62 65  0  0  1  0  0  0  0  0999 V2000
    2.1343    3.6056   -0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668    2.3781   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461    2.0794   -1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    1.6384    0.3824 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0081    0.5002    1.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4145    0.5588    1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7939    0.7511    2.9136 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851   -0.6622   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209   -1.0998   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-02, 1049👍, 0💬