Molecule FYI-1005755

A

Molecule Summary:

ID: FYI-1005755
Names:
InChIKey: STECJAGHUSJQJN-USLFZFAMSA-O
SMILES: C[NH+]1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005755 Edit

Molecule Structure InChIKey: STECJAGHUSJQJN-USLFZFAMSA-O

Molecule Structure SMILES String: C[NH+]1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005755
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
   12.2916   -0.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189   -0.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706    0.6771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211   -1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    1.3767    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.3063   -1.1638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6483   -0.2241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9336   -0.5718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6748    0.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6619   -1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2432    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848   -0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005755-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
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    0.8031   -1.1234   -0.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634    2.9586    0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9070    0.7398   -0.7914 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7910   -1.6097   -0.1302 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868   -0.8299    1.0425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2347   -0.6009   -1.1093 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0140    0.6247    0.7338 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7437   -0.3464   -0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5052    0.0891    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8436    0.0168    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-11-18, 357👍, 0💬