Molecule Editor

Molecule ID: FYI-1004401 Edit

Molecule Structure InChIKey: BRSLFUADDOSOLV-QXCWNFKOSA-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-1004401
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  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  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  6  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  1  0  0  0
 33 31  1  0  0  0  0
 33 34  1  6  0  0  0
 35 33  1  0  0  0  0
 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
 37 38  1  6  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-1004401-3D
FYIcenter.com

 95100  0  0  1  0  0  0  0  0999 V2000
    0.3625   -2.1776   -4.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -2.1513   -4.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200   -2.1136   -3.0546 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3052   -3.3166   -2.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565   -3.4854   -0.8680 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.1972   -4.4246    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -3.7980    0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330   -2.5617    1.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   -1.8879    0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7916   -0.8469    1.8425 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331   -0.7854    2.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040    0.1565    3.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -0.0333    4.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809   -1.1386    4.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -2.0845    3.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8393   -3.1840    3.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6055   -3.6659    4.5551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8381   -4.4358    5.5009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2178   -5.5961    4.9406 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1994   -5.2888    4.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905   -5.8680    3.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -4.3733    5.2533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -6.4654    4.0016 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7386   -7.5150    4.7643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174   -5.7330    3.2459 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7595   -5.3752    1.9415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7601   -4.5214    4.0172 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6330   -4.9151    5.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806   -1.8819    2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986   -2.2843   -0.1600 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6688   -1.0898   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149   -0.7912   -2.2241 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2332    0.5011   -2.9735 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3900    1.8271   -2.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    1.8587   -0.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5100    1.4043   -1.0270 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3588    2.3616   -1.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7087    1.8484   -1.7496 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8293    0.6050   -2.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2819   -0.4756   -2.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    0.8367   -3.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2977    1.5937   -0.3518 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4646    2.8776    0.2758 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4025    0.6911    0.5186 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4661   -0.7013    0.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    1.1398    0.4401 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7704    2.3242    1.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3147    0.9330   -4.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0942    0.9421   -4.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    1.3831   -5.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    1.8235   -6.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1501   -1.9563   -5.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334   -1.4543   -3.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -3.1731   -3.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -1.3311   -5.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -3.0576   -4.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -2.2781   -3.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -4.2264   -2.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242   -3.2848   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -4.8361    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469   -5.2828   -0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911   -4.5310    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -3.5387    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564   -0.1877    1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    0.9977    3.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    0.6844    5.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -1.2113    5.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721   -2.8504    5.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029   -6.2167    5.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573   -3.9900    5.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -6.9851    3.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6777   -7.3351    5.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502   -6.4323    3.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823   -4.6246    1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587   -3.9034    3.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3661   -5.7968    5.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3617   -2.5464    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -1.2500   -1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6797   -0.2153   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041   -0.6038   -1.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088    0.2439   -3.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7861    2.6149   -2.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    2.1722   -1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627    0.4912   -1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2904    2.6461   -2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9095    1.7365   -3.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2933    1.1472   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    3.2843    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313    0.7841    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8521   -0.8614   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3104    0.3615    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784    2.8516    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751    2.3184   -6.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5270    2.5444   -5.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464    0.9610   -6.7813 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 68  1  1  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 69  1  1  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 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 71  1  6  0  0  0
 24 72  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  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  6  0  0  0
 28 76  1  0  0  0  0
 30 31  1  0  0  0  0
 30 77  1  1  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  6  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  6  0  0  0
 37 38  1  0  0  0  0
 38 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 85  1  6  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 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 87  1  6  0  0  0
 43 88  1  0  0  0  0
 44 46  1  0  0  0  0
 44 45  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  1  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
$$$$