Molecule FYI-1006990

A

Molecule Summary:

ID: FYI-1006990
Names:
InChIKey: GVQOVMKBYJKZSY-UHFFFAOYSA-N
SMILES: C/C(C)=C/Cc3c(O)c(C/C=C(C)\\C)c2oc1c(O)cccc1c(=O)c2c3O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006990 Edit

Molecule Structure InChIKey: GVQOVMKBYJKZSY-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C/Cc3c(O)c(C/C=C(C)\C)c2oc1c(O)cccc1c(=O)c2c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006990
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6 27  1  0  0  0  0
  2 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006990-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
   -1.8194   -0.1238    0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -2.6746    0.2616 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3228    1.9052   -1.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    3.2391   -0.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4607   -0.0937    1.0744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1748   -1.3712    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.1517    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348    0.9510   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2472   -0.3762   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369   -1.4822    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989    0.8447   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -2.5636    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073   -0.5034   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756    2.2252   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    2.2344   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    1.0571    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1718   -3.3888   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -0.1929    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    3.3986   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    1.0433    0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713   -3.6553   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    0.3497    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0271    3.3784    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6218    2.2033    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9965   -4.4896   -1.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358   -3.1132    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6257    0.6335    1.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4894    0.7168   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987   -3.2207    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928   -2.2527    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -1.5160   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    0.1217   -1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -3.8206   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1576   -0.4600    1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2243    4.3233   -0.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -2.5289    0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    1.8421   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6231    4.2797   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6813    2.2057    0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -4.8633   -2.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5465   -5.3544   -1.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682   -3.8980   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -2.5038    1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2368   -2.5031   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1009   -3.9456    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8715    1.6987    1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5570    0.0584    1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0835    0.3665    2.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360    0.3920   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4745    1.8030   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    0.2512   -1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4022    0.0874    1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 36  1  0  0  0  0
  3 11  1  0  0  0  0
  3 37  1  0  0  0  0
  4 14  2  0  0  0  0
  5 20  1  0  0  0  0
  5 52  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 23  2  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 248👍, 0💬