Molecule FYI-1011626

A

Molecule Summary:

ID: FYI-1011626
Names:
InChIKey: AFHJQYHRLPMKHU-UHFFFAOYSA-N
SMILES: O=C3c1c(O)cccc1C(C2OC(CO)C(O)C(O)C2O)c4cc(CO)cc(O)c34

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011626 Edit

Molecule Structure InChIKey: AFHJQYHRLPMKHU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3c1c(O)cccc1C(C2OC(CO)C(O)C(O)C2O)c4cc(CO)cc(O)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1011626
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  3  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  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  1  0  0  0  0
 24 11  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 10  1  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011626-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    0.9847    0.0686    0.5436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1249    0.0003    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    1.2643   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0684    2.4739   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    2.5605    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    3.6699   -0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    3.6494   -1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.4449   -1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    1.2682   -0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0290    0.0772   -0.1864 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8312    0.2206    1.1775 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0330    0.3997    2.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957    1.7373    2.6475 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7382    1.7057    3.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.8418    3.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7824    2.7085    2.7583 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5980    2.4635    3.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6778    2.6115    1.5208 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8894    3.3639    1.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0427    1.1660    1.1723 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7210    1.0899   -0.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2598   -1.2409   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732   -2.4586   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164   -3.6918   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0850   -4.9854   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -5.7110    1.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191   -3.7045   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008   -2.5078   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -2.5635   -0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628   -1.2760   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338    1.6451    0.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531    4.6079   -0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    4.5807   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7640    2.4591   -1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7514   -0.0332   -1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889   -0.7664    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9440    2.0687    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    2.7060    4.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    1.3275    4.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356    1.0638    2.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4175    3.7375    2.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    1.5042    4.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1852    3.0929    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0410    3.4206    2.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7556    0.8166    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680    1.9493   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -2.4419   -0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1657   -4.8115   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8320   -5.5995   -0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937   -5.1029    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001   -4.6595   -0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431   -3.4763    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  2  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1344👍, 0💬