Molecule FYI-1000289

Home > Molecule

A

Molecule Summary:

ID: FYI-1000289
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O

Received at FYIcenter.com on: 2021-03-09

Molecule ID: FYI-1000289 Edit

Molecule Structure SMILES String: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000289
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    4.8497    5.6000    0.0000 O   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   13.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.5999    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
  3 24  1  6  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
  2 32  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000289-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
   -1.2264    1.5622    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4596    0.7692   -0.3736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4207   -0.5956    0.3477 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2848   -1.3665   -0.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890   -0.6927   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -1.4850   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144   -0.8759    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.5125    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    1.2916    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    0.7042    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    2.6539    0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5290   -1.5942   -0.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786   -2.8492    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643   -3.4508    1.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158   -3.4086    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3252   -4.7087    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409   -5.2875    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466   -4.5841   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1508   -3.2966   -0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449   -2.6972   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398   -2.6107   -1.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337   -5.1509   -0.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -6.5524    0.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887   -1.4009    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0519   -1.8130   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2747   -2.4460   -1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1346   -2.6833   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7808   -2.3188    0.9578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567   -1.6823    1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3468   -3.2738   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6856   -2.8421   -2.6427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275    1.5412   -0.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723    1.9667    1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    2.4212   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4279    0.6209   -1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363   -0.4362    1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639   -2.5637   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    0.9675    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986    2.9158    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073   -5.2544    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7439   -1.6921   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7857   -3.2311   -1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6101   -6.0487   -0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554   -6.9300    1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3866   -1.6127   -2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4569   -2.5145    1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2949   -1.3902    2.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3807   -3.4072   -1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9717   -2.6397   -3.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995    1.4903    0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 35  1  6  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 36  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-31, 2162👍, 0💬