Molecule FYI-1009499

A

Molecule Summary:

ID: FYI-1009499
Names:
InChIKey: IQBMWEYFKNVACH-MEBVLIOMSA-N
SMILES: O=c5c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(c4ccc(O)c(O)c4)oc6cc(O)cc(O)c56

Received at FYIcenter.com on: 2024-05-12

Molecule ID: FYI-1009499 Edit

Molecule Structure InChIKey: IQBMWEYFKNVACH-MEBVLIOMSA-N

Molecule Structure SMILES String: O=c5c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(c4ccc(O)c(O)c4)oc6cc(O)cc(O)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1009499
FYIcenter.com

 55 60  0  0  1  0  0  0  0  0999 V2000
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 O   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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   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
    7.2745    4.9000    0.0000 O   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   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
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 O   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
    3.6372    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    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  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
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 28 27  1  0  0  0  0
 24 29  1  1  0  0  0
 23 30  1  6  0  0  0
 22 31  1  1  0  0  0
 32 31  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  6  0  0  0
 39 38  1  0  0  0  0
 35 40  1  1  0  0  0
 34 41  1  6  0  0  0
 33 42  1  1  0  0  0
 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 47 49  1  6  0  0  0
 50 49  1  0  0  0  0
 46 51  1  1  0  0  0
 45 52  1  6  0  0  0
 44 53  1  1  0  0  0
 54  4  1  0  0  0  0
 55  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009499-3D
FYIcenter.com

 95100  0  0  1  0  0  0  0  0999 V2000
   -5.9993    0.9362    0.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9681    0.9861    1.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6739    0.3685    1.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019   -0.5922    0.0533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8728   -1.4582    0.0294 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8859   -2.2745    1.2095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0338   -3.1386    1.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8687   -3.9808    2.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8743   -3.1490    3.7279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0895   -4.0880    0.1095 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3092   -4.8414    0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9680   -3.3628   -1.2165 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7429   -4.4284   -2.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8268   -2.3285   -1.2550 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9549   -1.4469   -2.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7469   -1.9856   -3.7049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8802   -2.7852   -4.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8727   -3.2661   -5.4012 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1325   -4.1414   -5.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2900   -3.3832   -5.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6170   -4.0865   -5.7018 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5642   -4.3820   -7.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246   -3.3810   -5.2516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2552   -4.3458   -5.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4374   -2.7881   -3.8374 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3316   -1.9326   -3.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -2.6406   -3.3046 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3135   -3.6640   -2.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -4.5844   -2.2684 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6216   -5.6452   -1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -6.3288   -1.7105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -3.8729   -1.8718 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1623   -4.7907   -1.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.6059   -2.7250 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4192   -1.8500   -2.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431   -1.7215   -2.8650 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2506   -0.6792   -3.8339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356    0.8921    1.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    0.6401    1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.7046    1.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    1.5430    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162    0.3104    0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613    0.1125    0.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8321   -0.7409    0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -1.9551    0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -0.5928    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    1.8238    2.6307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029    2.1555    3.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5785    2.9833    4.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7403    3.3984    5.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6740    4.2266    6.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9892    2.9853    4.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0977    2.1523    3.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3327    1.7279    3.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9409    1.7494    2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7998   -0.8894   -0.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9416   -2.5263    1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9057   -4.5050    2.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6646   -4.7244    2.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4072   -2.3325    3.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2720   -4.8156    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3246   -5.3130   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9263   -2.8992   -1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9394   -4.0212   -3.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563   -2.8241   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7224   -1.1192   -4.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9649   -2.4050   -6.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0930   -4.9954   -4.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2586   -4.5203   -6.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0918   -2.9476   -4.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6726   -5.0538   -5.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281   -3.5989   -7.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0499   -2.5914   -5.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685   -4.9904   -4.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -3.6273   -3.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087   -3.0601   -4.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133   -5.0733   -3.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863   -5.1864   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -6.3822   -1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4511   -5.6345   -1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870   -3.6131   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158   -4.5473   -2.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -2.9242   -3.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -1.5143   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1980   -1.2228   -1.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -0.8905   -4.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170    2.6894    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949    2.3775    1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    0.0583    1.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -2.5713    1.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -1.4367    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6040    3.2969    4.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450    4.4648    6.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8718    3.3272    5.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0211    2.1891    3.5992 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 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 56  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 57  1  1  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 60  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 61  1  1  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 63  1  6  0  0  0
 13 64  1  0  0  0  0
 14 15  1  0  0  0  0
 14 65  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 66  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 67  1  6  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 71  1  1  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 73  1  6  0  0  0
 24 74  1  0  0  0  0
 25 26  1  0  0  0  0
 25 75  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 36  1  0  0  0  0
 27 76  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 77  1  6  0  0  0
 30 31  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 81  1  1  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 83  1  6  0  0  0
 35 84  1  0  0  0  0
 36 37  1  0  0  0  0
 36 85  1  1  0  0  0
 37 86  1  0  0  0  0
 38 39  1  0  0  0  0
 38 47  1  0  0  0  0
 39 40  1  0  0  0  0
 39 46  2  0  0  0  0
 40 41  2  0  0  0  0
 40 87  1  0  0  0  0
 41 42  1  0  0  0  0
 41 88  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 89  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 90  1  0  0  0  0
 46 91  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 55  2  0  0  0  0
 49 50  2  0  0  0  0
 49 92  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 93  1  0  0  0  0
 52 53  2  0  0  0  0
 52 94  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 54 95  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 167👍, 0💬