Molecule FYI-1006935

A

Molecule Summary:

ID: FYI-1006935
Names:
InChIKey: QYXKQNMJTHPKBP-LSDHHAIUSA-N
SMILES: CCCCC[C@H](O)C[C@H](O)CCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006935 Edit

Molecule Structure InChIKey: QYXKQNMJTHPKBP-LSDHHAIUSA-N

Molecule Structure SMILES String: CCCCC[C@H](O)C[C@H](O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006935
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
   11.8013    9.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9602   17.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526    8.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040    9.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   10.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2526    6.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551   11.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    5.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006935-3D
FYIcenter.com

 49 49  0     1  0  0  0  0  0999 V2000
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   -2.2287    3.4292   -1.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.7080    1.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921   -0.0434    0.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1413    2.5743    0.0185 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0755   -0.7964    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1844   -2.5045    1.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
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  9 12  1  0  0  0  0
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  9 29  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
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M  END
$$$$

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2024-01-31, 268👍, 0💬