Molecule FYI-1001198

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Molecule Summary:
ID: FYI-1001198
SMILES: C[C@]12CC[C@@]3(CCCc4c3ccc(c4)O)C[C@H]1CC[C@@H]2O
Received at FYIcenter.com on: 2022-03-03
Molecule ID: FYI-1001198 Edit
Molecule Structure SMILES String: C[C@]12CC[C@@]3(CCCc4c3ccc(c4)O)C[C@H]1CC[C@@H]2O
Download SDF Download SVG Structure in 2D SDF:
FYI-1001198
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    4.4691    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    1.1694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4691    0.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -0.8306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7370   -1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -2.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2691   -1.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2691   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3630   -2.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1332   -2.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -0.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9601    0.3246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    2.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938    2.1412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1709    2.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    2.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    1.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0060    1.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0796    0.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -0.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0796   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264   -1.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264   -2.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -2.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045   -3.3056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -3.3056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558   -0.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048   -0.9978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558   -3.4853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1308   -3.4748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1264   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4635    1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6346    0.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338    2.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155    2.4360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    3.4748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 13 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
  2 17  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 21  1  0  0  0  0
 21 23  1  6  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
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2022-04-21, 2124👍, 0💬