Molecule FYI-1001149

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A

Molecule Summary:

ID: FYI-1001149
SMILES: CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)=O

Received at FYIcenter.com on: 2022-02-07

Molecule ID: FYI-1001149 Edit

Molecule Structure SMILES String: CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001149
FYIcenter.com

 19 18  0  0  1  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  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
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001149-3D
FYIcenter.com

 55 54  0  0  1  0  0  0  0  0999 V2000
    4.4522   -9.5618   -3.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162   -8.6141   -2.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -9.3313   -1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3797   -8.0693   -2.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -7.1144   -1.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3430   -6.5688   -2.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9592   -5.5653   -1.3477 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3021   -6.2190   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2264   -4.9089   -1.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0295   -4.1395   -3.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0121   -2.9945   -3.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7054   -2.3339   -4.5014 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9794   -1.8307   -5.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698   -1.1971   -4.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1912   -0.6320   -5.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675    0.4904   -5.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    1.0252   -6.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968    2.1742   -6.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2060    0.5648   -7.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637   -9.9286   -3.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065  -10.4284   -3.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454   -9.0517   -4.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214   -7.7710   -2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8692  -10.1091   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1428   -9.8009   -0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299   -8.6322   -0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525   -7.5465   -3.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0704   -8.9013   -3.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1518   -7.6433   -0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3126   -6.2822   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1745   -6.0857   -3.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0422   -7.3962   -2.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2207   -4.7837   -1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0050   -7.0487   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4081   -6.6005    0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7558   -5.4886    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871   -5.6826   -2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6486   -4.2214   -1.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7477   -4.8257   -4.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0095   -3.7346   -3.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3842   -2.2424   -2.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0647   -3.3676   -2.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2547   -3.1003   -5.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654   -1.0526   -4.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7701   -1.4231   -6.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6968   -2.6395   -5.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1030   -0.3956   -3.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8023   -1.5823   -3.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628   -1.4452   -6.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0427   -0.2373   -6.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5954    1.3178   -4.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2666    0.1273   -5.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799    2.4402   -5.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9183    1.8798   -7.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800    3.0401   -7.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  1  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 43  1  6  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 1132👍, 0💬