Molecule FYI-1010955

A

Molecule Summary:

ID: FYI-1010955
Names:
InChIKey: DCYCTHAKHYSDFS-ZLZXIGQQSA-N
SMILES: COc1cc(C)c4c(c1)oc(=O)c3c(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc34

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010955 Edit

Molecule Structure InChIKey: DCYCTHAKHYSDFS-ZLZXIGQQSA-N

Molecule Structure SMILES String: COc1cc(C)c4c(c1)oc(=O)c3c(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1010955
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    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
   10.9119    7.7000    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
    8.4871    7.7000    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
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  6  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  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
 23 25  1  6  0  0  0
 26 25  1  0  0  0  0
 22 27  1  6  0  0  0
 21 28  1  6  0  0  0
 20 29  1  1  0  0  0
 30  4  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010955-3D
FYIcenter.com

 53 56  0     1  0  0  0  0  0999 V2000
    3.0354   -0.2593   -0.6441 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -0.5951    1.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3075    1.7417    0.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8742   -0.2689   -0.9601 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    1.4205    2.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    0.0382   -3.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8912   -1.5490   -0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540   -4.1905    0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8486    2.7967   -0.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830   -3.6654   -0.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    1.5677    0.3523 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1116    0.9372   -1.0369 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1710    0.6974    1.2892 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7101    0.6091   -1.5631 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8348    0.3313    0.6393 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7480   -0.0976   -2.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459   -1.0399    1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759   -0.5560    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -0.1314    0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.3638    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5627   -1.9342    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383   -2.3967    0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -2.8465    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274   -0.1619   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4385    1.7565    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736   -2.4745   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8542    0.6309   -0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    2.5680    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7645    2.0054   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    2.5524    0.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0518    2.1503   -0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    2.5655    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6455    1.6083   -1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242   -0.2020    1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1203    1.5310   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235    1.2368    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9651   -1.1654   -2.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882    0.3618   -3.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8206    2.2887    0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3466   -0.9342   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132    2.2251    2.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1698    0.8771    1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -0.4157   -4.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -3.1017    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588    0.1217   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137    3.6471    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    2.3048    1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    2.4723    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    3.6290    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5515   -4.4113    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9302    1.6582   -1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4249    1.4648   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8098    2.9298   -0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  1  0  0  0  0
  4 40  1  0  0  0  0
  5 13  1  0  0  0  0
  5 41  1  0  0  0  0
  6 16  1  0  0  0  0
  6 43  1  0  0  0  0
  7 24  1  0  0  0  0
  7 26  1  0  0  0  0
  8 23  1  0  0  0  0
  8 50  1  0  0  0  0
  9 29  1  0  0  0  0
  9 31  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 30  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-06, 1081👍, 0💬