Molecule FYI-1001053

A

Molecule Summary:

ID: FYI-1001053
SMILES: OC1OC([C@H](O6)[C@](C)6C)C[C@@H]1[C@@H]5CC[C@]4(C)C3=CCC2[C@@](C)(C)[C@@H](OC(/C(C)=C/C)=O)CC[C@@](C)2C3CC[C@]45C

Received at FYIcenter.com on: 2021-11-16

Molecule ID: FYI-1001053 Edit

Molecule Structure SMILES String: OC1OC([C@H](O6)[C@](C)6C)C[C@@H]1[C@@H]5CC[C@]4(C)C3=CCC2[C@@](C)(C)[C@@H](OC(/C(C)=C/C)=O)CC[C@@](C)2C3CC[C@]45C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001053
FYIcenter.com

 40 45  0  0  1  0  0  0  0  0999 V2000
   11.9788    6.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6788    7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0710    7.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3621    9.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6411    9.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0334    9.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4640   10.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2869   12.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8946   12.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1497    9.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1094    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1704   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7781   10.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3544    9.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   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
    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
    0.0000    2.8000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    7.8306    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  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  5  1  6  0  0  0
  8  7  1  0  0  0  0
  7  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  1  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 31 26  2  0  0  0  0
 32 24  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  6  0  0  0
 34 20  1  0  0  0  0
 36 34  1  0  0  0  0
 36 17  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 15  1  0  0  0  0
 39 12  1  0  0  0  0
 39 40  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-03-29, 2171👍, 0💬