Molecule FYI-1004231

A

Molecule Summary:

ID: FYI-1004231
Names:
InChIKey: QFCJMHWRNFIOCD-JFHUGIBTSA-N
SMILES: CC[C@@H]4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3CC4[C@H](CO[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004231 Edit

Molecule Structure InChIKey: QFCJMHWRNFIOCD-JFHUGIBTSA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@]2(Nc1cccc(OC)c1C2=O)[C@@H]3CC4[C@H](CO[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004231
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
   10.5150    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3024    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866   10.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1941   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844   10.2736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    9.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   10.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    7.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    5.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452    5.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    8.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0554    8.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7554    6.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3024    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5150    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5150    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7274    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7274    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5150    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9398    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9398    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9398    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7274    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7274    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  1  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
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
  8 18  1  6  0  0  0
 19 18  2  0  0  0  0
 20  8  1  0  0  0  0
 20  5  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
 25 24  1  0  0  0  0
 26 25  1  1  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  1  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 34 35  1  1  0  0  0
 36 34  1  0  0  0  0
 36 26  1  0  0  0  0
 36 37  1  6  0  0  0
 38 23  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-09-10, 992👍, 0💬