Molecule FYI-1002830

A

Molecule Summary:

ID: FYI-1002830
Names:
InChIKey: QQBHNUFLCNOMRL-SDNWHVSQSA-N
SMILES: CC3/4CC(=O)C2C(CCC1=CCCCC12C)C3CCC4=C/C(=O)O

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002830 Edit

Molecule Structure InChIKey: QQBHNUFLCNOMRL-SDNWHVSQSA-N

Molecule Structure SMILES String: CC3/4CC(=O)C2C(CCC1=CCCCC12C)C3CCC4=C/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002830
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.0877    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8265    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7634    1.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 21  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002830-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.3340   -1.4885   -1.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0291   -1.5791    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -1.5519    1.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6107   -2.5807    2.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3423    0.8216    0.6507 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3789    2.1975    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-05-31, 721👍, 0💬