Molecule FYI-1000343

A

Molecule Summary:

ID: FYI-1000343
SMILES: C[C@H](CCC(=O)[O])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000343 Edit

Molecule Structure SMILES String: C[C@H](CCC(=O)[O])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000343
FYIcenter.com

 28 31  0  0  1  0  0  0  0  0999 V2000
    6.0622    9.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3518    6.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2885    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4865    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539    2.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    1.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7927    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1621    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6663    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2968    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6031    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2253    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2734    7.6118    0.0000 C   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  1  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  1  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  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
 24 19  1  0  0  0  0
 23 25  1  6  0  0  0
 20 26  1  6  0  0  0
 17 27  1  6  0  0  0
 12 28  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-07-26, 2234👍, 0💬