Molecule FYI-1003475

A

Molecule Summary:

ID: FYI-1003475
Names:
InChIKey: UREBDLICKHMUKA-UHFFFAOYSA-N
SMILES: CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)CO

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003475 Edit

Molecule Structure InChIKey: UREBDLICKHMUKA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003475
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1838    4.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1264    3.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6336    1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3175    5.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 15  1  0  0  0  0
 28 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003475-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
    2.5440    1.8411    8.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    2.4707    7.0143 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0792    1.6347    6.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153    2.4355    4.9169 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2770    2.0094    4.0065 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.0089    0.3594    3.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4143    1.2358    2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7244    1.4336    2.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704    1.9346    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2339    1.5746    0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-08, 1728👍, 0💬