Molecule FYI-1001226

A

Molecule Summary:

ID: FYI-1001226
SMILES: CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(OC(=O)[C@@H](N)CSC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1

Received at FYIcenter.com on: 2022-03-24

Molecule ID: FYI-1001226 Edit

Molecule Structure SMILES String: CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(OC(=O)[C@@H](N)CSC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001226
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
   13.3588    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3588    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    5.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0021    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0021    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0360    8.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    9.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732   10.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732   11.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3588   12.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876   12.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0021   11.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0021   10.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2166    9.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4310   10.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5650    8.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3588    8.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1444    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1444    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    9.8162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5010    8.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2866    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2866    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    9.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732    6.3104    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  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  6  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 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 17 18  1  1  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 31 32  1  1  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  1  0  0  0
 37 35  1  0  0  0  0
 37 38  1  6  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 21  2  0  0  0  0
 41  6  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-05-15, 788👍, 0💬