Molecule FYI-1013892

A

Molecule Summary:

ID: FYI-1013892
Names:
InChIKey: YHCAYTHXVLVXQC-URLQWDBASA-N
SMILES: CC3=C[C@@H](C[C@@](C)(O)[C@@H](O)COc2ccc1ccc(=O)oc1c2)OC3=O

Received at FYIcenter.com on: 2025-02-10

Molecule ID: FYI-1013892 Edit

Molecule Structure InChIKey: YHCAYTHXVLVXQC-URLQWDBASA-N

Molecule Structure SMILES String: CC3=C[C@@H](C[C@@](C)(O)[C@@H](O)COc2ccc1ccc(=O)oc1c2)OC3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013892
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    7.7871    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    3.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    6.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5199    5.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    4.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   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  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  2  0  0  0  0
  2 11  1  1  0  0  0
 12  2  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 12 26  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013892-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
   -1.9966    5.0268   -0.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972    3.7139   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044    3.3955    0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750    1.9249    1.0850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1421    1.3893    2.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224   -0.1387    2.4358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4409   -0.9848    1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8058   -0.4835    2.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1386   -0.4976    3.5839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1189   -1.9092    3.8486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7978    0.2641    4.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796   -0.0426    5.9569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4282    0.6949    7.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2677    0.4441    8.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1149    1.1565    9.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    2.1251    9.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    2.9158   10.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312    3.8164   10.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0108    4.0402    9.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970    4.8565    9.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374    3.2983    8.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2756    2.3513    8.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    1.6534    7.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  1  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  6  9  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
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  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  6  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

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2025-02-16, 1165👍, 0💬