Molecule FYI-1001148

A

Molecule Summary:

ID: FYI-1001148
SMILES: C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2

Received at FYIcenter.com on: 2022-02-06

Molecule ID: FYI-1001148 Edit

Molecule Structure SMILES String: C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001148
FYIcenter.com

 65 67  0  0  1  0  0  0  0  0999 V2000
   14.9484    1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2522    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3928    3.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3772    4.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4437    3.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1757    5.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7642    6.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0725    6.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1245    7.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2458    9.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6380    9.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1245   10.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7642   12.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1757   13.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3815   14.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3772   14.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4437   15.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3928   15.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2522   16.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9484   17.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905   16.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644   17.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6222   18.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644   18.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   19.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   20.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0531   18.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8472   19.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8472   20.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6416   18.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0531   17.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5270   16.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651   16.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5690   17.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767   17.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806   16.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   16.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   15.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   17.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   18.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   19.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806   18.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767   19.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247   15.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403   14.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   13.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533   12.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930   10.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716    9.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    7.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533    6.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417    5.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403    4.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247    3.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5270    1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8718    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6457    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874    0.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905    1.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4666    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2587   16.8215    0.0000 O   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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  6  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  1  0  0  0
 27 25  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  6  0  0  0
 35 34  1  6  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 38  1  6  0  0  0
 39 37  1  0  0  0  0
 39 40  1  1  0  0  0
 41 39  1  0  0  0  0
 41 42  1  6  0  0  0
 43 41  1  0  0  0  0
 43 35  1  0  0  0  0
 43 44  1  6  0  0  0
 45 33  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 54  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 58  1  0  0  0  0
 59 60  1  1  0  0  0
 61 59  1  0  0  0  0
 61 62  1  6  0  0  0
 63 61  1  0  0  0  0
 63  2  1  0  0  0  0
 63 64  1  6  0  0  0
 31 65  1  1  0  0  0
 65 22  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2022-04-13, 165👍, 0💬