Molecule Editor

Molecule ID: FYI-1016805 Edit

Molecule Structure InChIKey: STIXHQHITPYXBA-QDXOODOVSA-N

Molecule Structure SMILES String: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@H](O)CC(O)[C@H](O)[C@H]2O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016805
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    4.8497    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
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    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
    0.0000    2.1000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  6  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
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 16 19  1  6  0  0  0
 20 19  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  6  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 25 28  1  1  0  0  0
 24 29  1  1  0  0  0
 14 30  1  6  0  0  0
 31 30  1  0  0  0  0
 13 32  1  6  0  0  0
  8 33  1  6  0  0  0
 34 33  1  0  0  0  0
  7 35  1  1  0  0  0
  6 36  1  6  0  0  0
 22 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016805-3D
FYIcenter.com

 71 73  0  0  1  0  0  0  0  0999 V2000
    5.9402    0.5690    8.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8687   -0.1680    7.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8693   -0.5781    7.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965   -0.3111    7.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3226   -0.9497    5.7881 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6749   -2.4546    5.7776 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9183   -3.1554    6.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -3.0927    4.3887 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9862   -4.4100    4.3300 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0122   -2.2335    3.2588 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5651   -2.7333    1.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150   -1.8792    0.8696 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5649   -0.8770    3.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399   -0.2801    4.5873 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7456    1.1133    4.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2460    1.8080    3.4055 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6738    3.2424    3.4765 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1105    3.8947    4.6819 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    4.0359    2.2650 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6688    5.4877    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1502    6.1828    1.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    4.0531    2.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1694    2.7827    2.0852 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5895    2.9652    1.9537 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    3.4080    0.6218 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4972    3.4400    0.5004 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0550    2.2188    0.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1528    4.6042    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5114    5.9605    0.9345 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8660    6.3582   -0.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742    5.9556    1.0217 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5004    5.9728    2.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3837    4.7811    0.1959 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6265    4.9702   -1.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    1.8167    3.2420 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3127    0.5042    2.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8426    0.2574    9.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758    0.3393    9.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9835    1.6449    8.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.1523    7.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356   -0.8464    5.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7245   -2.6011    6.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856   -3.1777    6.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3507   -3.2057    4.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8763   -4.3875    4.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1097   -2.2415    3.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754   -2.6934    1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9028   -3.7549    1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.0105    1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -0.4155    4.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8094    1.3328    2.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    3.2074    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387    4.1686    4.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    3.5695    1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    6.0272    3.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765    5.5327    2.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1076    6.3030    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    2.3498    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6098    2.6325   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    3.5023   -0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5272    1.9789    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2147    4.6354    0.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1504    4.4154    2.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.7125    1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8299    6.4985   -0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6049    6.8853    0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2513    5.9784    2.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992    4.7765    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3751    5.5979   -1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2669    2.1346    4.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8308    0.1212    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 42  1  1  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 44  1  6  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 46  1  1  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  1  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 15  1  0  0  0  0
 16 51  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 52  1  6  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 54  1  6  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 23 58  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 25 59  1  6  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  6  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 66  1  6  0  0  0
 32 67  1  0  0  0  0
 33 34  1  0  0  0  0
 33 68  1  1  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  1  0  0  0
 36 71  1  0  0  0  0
M  END
$$$$