Molecule Editor

Molecule ID: FYI-1004402 Edit

Molecule Structure InChIKey: BRSLFUADDOSOLV-UVGGDIQISA-N

Molecule Structure SMILES String: CC[C@@H]5CN4CCc2c([nH]c3cccc(O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c23)[C@@H]4CC5[C@H](CO[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004402
FYIcenter.com

 51 56  0  0  1  0  0  0  0  0999 V2000
    6.3923   14.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   15.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304   16.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   17.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   16.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688   17.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   15.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   15.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535   16.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847   14.0696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770   13.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464   12.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2494    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2494    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312   11.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2494    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2494    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6742    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8867    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6742    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0991    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5239    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3115    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5239    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7364    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5239    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0991    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6742    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8867    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    9.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083   10.5253    0.0000 C   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
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 18  1  0  0  0  0
 24 14  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  1  0  0  0  0
 30 29  1  1  0  0  0
 31 30  1  0  0  0  0
 31 32  1  6  0  0  0
 33 31  1  0  0  0  0
 33 34  1  1  0  0  0
 35 33  1  0  0  0  0
 35 36  1  6  0  0  0
 37 35  1  0  0  0  0
 37 38  1  1  0  0  0
 39 38  1  0  0  0  0
 40 38  2  0  0  0  0
 41 37  1  0  0  0  0
 41 30  1  0  0  0  0
 42 27  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 42  2  0  0  0  0
 46 26  1  0  0  0  0
 46 47  1  1  0  0  0
 48 47  1  0  0  0  0
 49 46  1  0  0  0  0
 49 22  1  0  0  0  0
 50 16  2  0  0  0  0
 51 50  1  0  0  0  0
 24 51  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004402-3D
FYIcenter.com

 95100  0  0  1  0  0  0  0  0999 V2000
   -3.9330  -13.2314    6.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156  -14.2255    5.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0855  -13.7107    3.6926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7556  -12.9939    4.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346  -12.2864    2.9710 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0752  -11.3026    3.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300   -9.8655    3.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -9.3861    2.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006  -10.3138    1.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4464   -9.6254    0.6852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -8.2717    0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -7.2219    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -5.9189    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1539   -5.6832    1.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280   -6.7474    2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677   -6.5331    3.9317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9766   -5.5409    4.7058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3865   -5.8191    4.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1261   -4.9613    5.6844 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5950   -5.4259    5.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4942   -4.9140    6.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8233   -6.4709    4.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5537   -5.0230    7.1048 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2235   -4.1111    7.9781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568   -4.6944    7.0730 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5017   -4.8091    8.3874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129   -5.5916    6.0898 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0735   -5.2208    6.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993   -8.0789    2.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591  -11.8152    1.7890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0901  -12.5291    1.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9781  -12.8705    2.7281 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3449  -13.5273    2.2605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2879  -14.9040    1.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5163  -15.8498    2.2766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4962  -17.1969    1.7914 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8381  -17.6346    1.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9924  -18.9936    1.2067 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5044  -19.1928    1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0777  -20.2349    0.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1897  -18.0618    1.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3265  -19.1933   -0.1562 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.4739  -20.5241   -0.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315  -18.8344   -0.0221 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1460  -19.0027   -1.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6492  -17.4016    0.5107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2647  -17.1258    0.7636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1711  -12.6079    1.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7190  -11.9263    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4989  -12.7688    1.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675  -12.0491    0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7570  -13.5767    6.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1672  -12.2205    5.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0509  -13.1829    6.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6578  -14.7420    4.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381  -14.9954    5.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027  -14.6138    3.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708  -13.7865    4.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103  -12.3290    4.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7676  -11.2300    2.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593  -11.6954    4.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2140   -9.1974    4.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2802   -9.8755    4.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8444  -10.0437   -0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4112   -7.4063   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1130   -5.0813    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420   -4.6515    2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -4.5428    4.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273   -3.9380    5.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9886   -6.7153    4.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6938   -6.0263    7.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119   -3.2890    8.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9127   -3.6420    6.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -5.7542    8.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -6.6267    6.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -4.2806    5.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096  -12.0535    0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736  -13.4596    0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408  -11.9030    0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2401  -11.9330    3.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9368  -13.6574    3.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235  -15.2749    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9120  -14.8026    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286  -17.7754    2.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6005  -19.6854    1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5373  -17.3765    1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7815  -18.5324   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7902  -21.1044   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437  -19.5525    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693  -18.3362   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9519  -16.6958   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8023  -17.9572    0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2959  -12.6164    0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9291  -11.9337   -0.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6080  -11.0640    1.0679 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 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3  2  1  0  0  0  0
  3 57  1  6  0  0  0
  4  5  1  0  0  0  0
  4 58  1  0  0  0  0
  4 59  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 60  1  0  0  0  0
  6 61  1  0  0  0  0
  7  8  1  0  0  0  0
  7 62  1  0  0  0  0
  7 63  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 64  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  2  0  0  0  0
 12 13  2  0  0  0  0
 12 65  1  0  0  0  0
 13 14  1  0  0  0  0
 13 66  1  0  0  0  0
 14 15  2  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 16  1  0  0  0  0
 17 68  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 69  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 70  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 71  1  1  0  0  0
 24 72  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 73  1  6  0  0  0
 26 74  1  0  0  0  0
 27 28  1  0  0  0  0
 27 75  1  1  0  0  0
 28 76  1  0  0  0  0
 30 31  1  0  0  0  0
 30 77  1  6  0  0  0
 31 32  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 48  1  0  0  0  0
 33 34  1  0  0  0  0
 33 32  1  0  0  0  0
 33 81  1  1  0  0  0
 34 35  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 36 37  1  0  0  0  0
 36 46  1  0  0  0  0
 36 35  1  0  0  0  0
 36 84  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 42  1  0  0  0  0
 38 85  1  1  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 86  1  0  0  0  0
 42 44  1  0  0  0  0
 42 43  1  0  0  0  0
 42 87  1  6  0  0  0
 43 88  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 89  1  1  0  0  0
 45 90  1  0  0  0  0
 46 47  1  0  0  0  0
 46 91  1  6  0  0  0
 47 92  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 93  1  0  0  0  0
 51 94  1  0  0  0  0
 51 95  1  0  0  0  0
M  END
$$$$