Molecule Editor

Molecule ID: FYI-1007126 Edit

Molecule Structure InChIKey: VEGXETMJINRLTH-BOZYPMBZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007126
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    5.5497   12.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   12.4125    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
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  0  0  0  0
  6 10  1  1  0  0  0
  5 11  1  1  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 24 26  1  6  0  0  0
 27 26  1  0  0  0  0
 21 28  1  1  0  0  0
 15 29  1  1  0  0  0
 13 30  1  1  0  0  0
  2 31  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007126-3D
FYIcenter.com

 70 72  0     1  0  0  0  0  0999 V2000
   -0.7899   -0.5547    0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -0.1747    0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    0.0576    1.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -3.0784    2.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0623    0.7946    0.8294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852    1.8627   -0.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0047    1.3002    0.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284   -4.1926   -0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925   -3.7895   -0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7853   -0.0679   -1.5636 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    1.9480    1.3217 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005    2.0857   -1.7962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -1.8884    0.5865 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0895   -1.5465    0.4976 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8658   -1.8445    1.3800 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3901   -2.7752   -0.6718 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1777   -2.4295   -0.7619 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8437   -2.4379   -1.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026   -0.3680    0.1712 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0372    1.0249   -0.9221 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5382    0.6689   -0.9103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5732    1.2873    0.5133 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6549    0.6628    1.0629 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9968    2.0501    1.0808 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1009    0.1891    1.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811    2.8013   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    1.4241   -0.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7851    2.8331   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1413    2.6668    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8954    1.4651   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6830    0.0254   -3.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233   -2.2766    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116   -1.7183    1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -1.0723    2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -2.5834   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -2.0093   -1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940   -1.4415   -1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9057   -3.1245   -2.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052   -1.3091   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2050    1.9472   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1859    0.2922   -1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5522    0.2417    2.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    2.6293    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5693   -0.7770    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964    0.4285    2.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301   -4.7632   -1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -4.3983    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -4.3441   -1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121   -3.7678    0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    2.3141   -1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957    3.8266   -0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8784   -2.9894    2.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    0.8099   -1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528    3.4663    0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9693    3.3023   -1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4358    3.4576    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6464    2.8949    1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    2.7405    1.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7693    0.0044   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    2.4750   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3265    1.4005    1.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2994    0.4475   -0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3324    2.0153    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    2.8806    1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919    1.4981    2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6616   -0.1130   -3.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0716    0.9777   -3.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2854   -0.7706   -3.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    1.5519   -2.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3153    2.0470   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4 15  1  0  0  0  0
  4 52  1  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  6 21  1  0  0  0  0
  6 60  1  0  0  0  0
  7 22  1  0  0  0  0
  7 61  1  0  0  0  0
  8 16  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 17  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 20  1  0  0  0  0
 10 31  1  0  0  0  0
 10 59  1  0  0  0  0
 11 24  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 30  1  0  0  0  0
 12 69  1  0  0  0  0
 12 70  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 25  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
M  END
$$$$