Molecule FYI-1006892

A

Molecule Summary:

ID: FYI-1006892
Names:
InChIKey: OQZCUYXRSFWCJU-ZGFBFQLVSA-N
SMILES: C/C(C)=C\\2CC1[C@@H](CC[C@H](C)O)[C@]1(C)CC2=O

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006892 Edit

Molecule Structure InChIKey: OQZCUYXRSFWCJU-ZGFBFQLVSA-N

Molecule Structure SMILES String: C/C(C)=C\2CC1[C@@H](CC[C@H](C)O)[C@]1(C)CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006892
FYIcenter.com

 18 19  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    4.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  6  1  0  0  0  0
  3  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  4  9  2  0  0  0  0
  1 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
  7 13  1  1  0  0  0
  6 18  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006892-3D
FYIcenter.com

 41 42  0     1  0  0  0  0  0999 V2000
    3.0686   -0.9495    1.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9790   -0.2626   -0.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674   -1.4027   -0.1871 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2803   -0.6086   -1.4114 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6419   -0.0200   -0.3723 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9690   -1.6807    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878   -0.1293   -1.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783    0.1618   -0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084   -2.5539   -0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    0.1345   -0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2248   -0.8322    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8909    0.7254    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954    1.2054   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3600    0.9653    0.0970 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4432    2.2268   -1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8709    1.4539    1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1315    1.5663    1.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -0.8954   -2.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.7975    0.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -2.7188    0.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110   -1.5565    1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6284    0.7558   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471   -0.8871   -2.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1281    0.8921   -1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -0.7376   -1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5097   -2.5439   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4709   -3.5084   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7691   -2.5714    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.0141    1.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385    1.6642    0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4263    1.6405   -0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    3.0496   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    2.6458   -1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4052    1.8184   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1888    1.3637    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    0.8150    1.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325    2.4889    1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1198    0.8960    2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7125    2.5320    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1828    1.7104    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9103   -0.8731    0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1894👍, 0💬