Molecule Editor

Molecule ID: FYI-1012174 Edit

Molecule Structure InChIKey: LLPRITPJQPQXIR-VUUMQSBJSA-N

Molecule Structure SMILES String: C[C@@H]6O[C@@H](OC[C@H]5O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H]5O)[C@@H](O)[C@@H](O)[C@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012174
FYIcenter.com

 51 56  0  0  1  0  0  0  0  0999 V2000
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   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
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   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
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    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
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 O   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  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
 15 10  1  0  0  0  0
 14 16  1  1  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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 22  1  0  0  0  0
 30 18  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
 36 33  1  0  0  0  0
 13 37  1  6  0  0  0
 38 37  1  6  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 43 38  1  0  0  0  0
 41 44  1  6  0  0  0
 40 45  1  6  0  0  0
 39 46  1  6  0  0  0
 12 47  1  1  0  0  0
 11 48  1  6  0  0  0
  5 49  1  1  0  0  0
  4 50  1  1  0  0  0
  3 51  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012174-3D
FYIcenter.com

 89 94  0  0  1  0  0  0  0  0999 V2000
   10.5799    6.3351   -8.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875    6.5699   -8.9305 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1955    6.8812   -8.1879 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533    5.7921   -7.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2640    6.2211   -7.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3790    7.2320   -6.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9901    7.7924   -5.6393 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2216    6.8259   -4.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862    7.3051   -4.5589 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1925    6.2247   -3.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8001    6.1861   -3.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    5.1795   -3.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666    4.1323   -2.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    4.3601   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    3.3111   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556    2.0410   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    0.9717   -0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    1.8155   -2.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624    2.8597   -3.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    4.9938   -3.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    6.0376   -3.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634    5.8828   -3.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2412    6.9160   -3.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750    6.8128   -3.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7813    8.1042   -4.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4254    8.2397   -4.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    9.4257   -4.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5286    7.1909   -4.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    7.2125   -4.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    8.0039   -5.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204    8.5090   -3.5768 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7272    8.9845   -3.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555   10.1619   -2.3070 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4229   10.5983   -1.9759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   11.9024   -1.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   11.8477   -0.0146 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4490   11.0973    0.9279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038   11.1886   -0.2045 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2355   10.9435    1.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784    9.8774   -0.9756 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7100    8.9175   -0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827    9.5953   -4.2567 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2017   10.6765   -3.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    9.0233   -4.7620 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9609   10.0372   -5.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2439    4.6520   -8.5033 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2894    5.1350   -9.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5183    4.2169   -9.2245 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2083    3.1983  -10.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1743    5.4161   -9.9250 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3449    5.8805  -11.0051 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7468    7.2128   -7.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4893    6.1562   -8.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4277    5.4838   -7.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001    7.4776   -9.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1679    5.4397   -6.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    8.0449   -6.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8782    6.8061   -5.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4497    8.0451   -6.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    7.5597   -5.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    5.3428   -0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    3.4956    0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982    1.2009    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    0.8189   -2.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    2.6656   -4.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054    4.9593   -2.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7648    5.9221   -2.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4894    8.9019   -4.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163   10.0687   -4.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5507    8.1322   -2.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   10.9815   -2.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5584   12.2234   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481   12.6132   -2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   12.8496    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145   10.2136    0.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2578   11.8663   -0.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   10.3440    1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679    9.4329   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    8.4353   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160   10.0549   -5.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074   10.4348   -2.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    8.7311   -3.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   10.4999   -6.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    3.8073   -7.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    5.7047   -8.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2182    3.7784   -8.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5730    3.6155  -10.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1190    5.1133  -10.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4574    6.0527  -10.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
  2 55  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 56  1  1  0  0  0
  5  6  1  0  0  0  0
  6 57  1  0  0  0  0
  6 58  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7  6  1  0  0  0  0
  7 59  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 60  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 22 66  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  2  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 69  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 42  1  0  0  0  0
 31 32  1  0  0  0  0
 31 70  1  1  0  0  0
 33 34  1  0  0  0  0
 33 40  1  0  0  0  0
 33 32  1  0  0  0  0
 33 71  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 74  1  1  0  0  0
 37 75  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 76  1  6  0  0  0
 39 77  1  0  0  0  0
 40 41  1  0  0  0  0
 40 78  1  6  0  0  0
 41 79  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 80  1  6  0  0  0
 43 81  1  0  0  0  0
 44 45  1  0  0  0  0
 44 82  1  1  0  0  0
 45 83  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 84  1  1  0  0  0
 47 85  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 86  1  1  0  0  0
 49 87  1  0  0  0  0
 50 51  1  0  0  0  0
 50 88  1  6  0  0  0
 51 89  1  0  0  0  0
M  END
$$$$