Molecule FYI-1012467

A

Molecule Summary:

ID: FYI-1012467
Names:
InChIKey: MBDOTSGPKIBHQU-KXBFYZLASA-N
SMILES: O=C3C=CC2=C(CCCC[C@@H](CC1CCCC1)C[C@@H]2C(=O)O)C3

Received at FYIcenter.com on: 2024-09-06

Molecule ID: FYI-1012467 Edit

Molecule Structure InChIKey: MBDOTSGPKIBHQU-KXBFYZLASA-N

Molecule Structure SMILES String: O=C3C=CC2=C(CCCC[C@@H](CC1CCCC1)C[C@@H]2C(=O)O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012467
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
   12.1323    1.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5736    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2581    3.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1855    3.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4287    1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7443    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287    0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4131    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3975    1.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6920    6.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012467-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    5.8545   -0.1840    0.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -0.6429    0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -0.6271   -0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5274   -1.9096   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115   -2.5196    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1454   -2.5573    2.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8083   -3.9808    3.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -4.2600    3.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5405   -4.8136    2.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-09-28, 460👍, 0💬