Molecule Editor

Molecule ID: FYI-1010883 Edit

Molecule Structure InChIKey: ODOOFVGHZRHKCR-ODUCGURHSA-N

Molecule Structure SMILES String: C[C@H](CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)O[C@@H]2OC(CO)[C@@H](O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010883
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    9.6995    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
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 O   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    2.4249    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
    2.4249    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
    2.4249    6.3000    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  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
 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
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
  2 28  1  1  0  0  0
 29 28  1  6  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 32 37  1  1  0  0  0
 38 31  1  0  0  0  0
 39 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010883-3D
FYIcenter.com

 89 90  0  0  1  0  0  0  0  0999 V2000
   -1.0280   -3.1442   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -2.8347   -0.2754 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9224   -2.2517    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.8357    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -0.7777    1.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537   -1.6863    2.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1598   -1.7371    2.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6318   -2.6175    3.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1489   -2.6267    3.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6545   -3.4894    4.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1616   -3.4864    4.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6694   -4.3423    5.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1847   -4.3468    5.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6901   -5.2034    6.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2046   -5.2100    6.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7145   -6.0696    8.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2346   -6.0567    8.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8308   -6.8895    9.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0546   -8.2533    8.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6603   -9.1098    9.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0450   -8.6353   11.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7889   -7.2844   11.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1553   -6.8287   12.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1764   -6.3989   10.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9005   -4.9615   10.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3408   -4.1387   10.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3153   -4.6274   12.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9767   -2.1142   -1.3936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160   -1.9717   -1.3767 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8690   -1.1176   -2.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308   -1.6525   -3.7592 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1563   -0.6852   -4.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    0.5915   -4.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298   -3.0122   -3.8873 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7561   -2.8784   -3.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -3.9588   -2.8004 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4648   -5.2271   -2.9014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117   -3.3472   -1.4288 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7343   -4.2418   -0.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698   -3.7158   -1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770   -2.2567   -0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4003   -3.6748    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   -3.8587   -0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -2.9159    1.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219   -2.2307    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -0.2139    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8331   -0.4130    2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.9611    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.2463    1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3012   -1.3342    3.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906   -2.7371    2.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -2.1435    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714   -0.7186    2.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2510   -2.2345    4.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2499   -3.6379    3.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5178   -3.0115    2.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5174   -1.6016    3.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2705   -3.0966    5.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2690   -4.5083    4.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5357   -3.8731    3.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5373   -2.4603    4.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2960   -3.9538    6.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2920   -5.3671    5.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5588   -4.7371    4.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5634   -3.3222    5.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3160   -4.8134    7.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3118   -6.2278    6.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5783   -5.6000    5.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5828   -4.1845    7.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3340   -5.6838    9.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3273   -7.0911    7.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5984   -6.4499    7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6009   -5.0264    8.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7698   -8.6453    7.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8329  -10.1556    9.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5269   -9.3101   11.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5642   -7.5689   13.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7339   -5.3239   12.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462   -1.4427   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -1.7614   -3.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9795   -1.1004   -5.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2307   -0.5130   -4.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641    0.4583   -4.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1588   -3.4486   -4.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -2.2398   -3.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435   -4.1412   -2.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235   -5.0431   -2.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -3.2286   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755   -4.7372   -0.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  2 43  1  6  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 68  1  0  0  0  0
 15 69  1  0  0  0  0
 16 17  1  0  0  0  0
 16 70  1  0  0  0  0
 16 71  1  0  0  0  0
 17 18  1  0  0  0  0
 17 72  1  0  0  0  0
 17 73  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 74  1  0  0  0  0
 20 21  1  0  0  0  0
 20 75  1  0  0  0  0
 21 22  2  0  0  0  0
 21 76  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 77  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 78  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 38  1  0  0  0  0
 29 79  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 32 81  1  0  0  0  0
 32 82  1  0  0  0  0
 33 83  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 84  1  6  0  0  0
 35 85  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 86  1  0  0  0  0
 37 87  1  0  0  0  0
 38 39  1  0  0  0  0
 38 88  1  0  0  0  0
 39 89  1  0  0  0  0
M  END
$$$$