Molecule FYI-1015871

A

Molecule Summary:

ID: FYI-1015871
Names:
InChIKey: LBQIJVLKGVZRIW-ZDUSSCGKSA-N
SMILES: CC4(C)C=Cc3c(ccc2C[C@H](c1ccc(O)cc1O)COc23)O4

Received at FYIcenter.com on: 2025-10-26

Molecule ID: FYI-1015871 Edit

Molecule Structure InChIKey: LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Molecule Structure SMILES String: CC4(C)C=Cc3c(ccc2C[C@H](c1ccc(O)cc1O)COc23)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015871
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
   12.3119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  6  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015871-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
   -0.3905    1.3181    0.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6431   -0.8823   -0.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966    0.9827   -2.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2797   -0.1255    0.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    0.1918   -0.2428 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0199   -1.1867   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -1.0537   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9818    1.1172    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.1712    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    0.2734    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1815    0.1134   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3683    0.3487    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764   -0.8662   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2669   -2.1831   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954    1.5309    0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564   -2.0899   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288    1.5600    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    0.5127   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3438    0.0934    1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1537    0.6003   -1.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778   -0.3660    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410    0.4327   -0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548   -0.4463    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7386    0.1910   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
  4 24  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 18  2  0  0  0  0
 11 21  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
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 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 929👍, 0💬