Molecule FYI-1005302

A

Molecule Summary:

ID: FYI-1005302
Names:
InChIKey: BHQHBIOXSDUMFF-VQHVLOKHSA-N
SMILES: COc4ccc(/C=C/C(=O)c3cc(C1CC2CCC1(C)C2(C)C)c(OC)cc3O)cc4OC

Received at FYIcenter.com on: 2023-10-23

Molecule ID: FYI-1005302 Edit

Molecule Structure InChIKey: BHQHBIOXSDUMFF-VQHVLOKHSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/C(=O)c3cc(C1CC2CCC1(C)C2(C)C)c(OC)cc3O)cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005302
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.0474    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0474    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8350    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2598    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2598    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8972    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5345    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7469    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 10 11  1  0  0  0  0
  1 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
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 14 30  1  0  0  0  0
 30 11  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 11 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005302-3D
FYIcenter.com

 67 70  0  0  1  0  0  0  0  0999 V2000
   10.2533   -8.5014   -4.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2683   -7.7496   -5.8692 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3732   -6.7186   -5.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561   -6.0367   -4.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9938   -4.9405   -5.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6397   -4.4909   -6.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-02, 1290👍, 0💬