Molecule FYI-1006529

A

Molecule Summary:

ID: FYI-1006529
Names:
InChIKey: NYWGYGGFNSPMLY-AHLOSMIKSA-N
SMILES: CCCCC(C)[C@@H](O)C(O)CC(C)C[C@H](O)CCCC[C@@H](O)CC(O)C(C)=O

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006529 Edit

Molecule Structure InChIKey: NYWGYGGFNSPMLY-AHLOSMIKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006529
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
    1.4567    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0940    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5189    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7313    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9437    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3686    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5810    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5345    0.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1946    3.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    3.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740    4.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    7.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5087    8.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   10.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260   10.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3993   12.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7927    5.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9974    6.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    8.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
  7 14  1  1  0  0  0
  2 15  1  1  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  1  0  0  0
 18 26  1  0  0  0  0
 20 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006529-3D
FYIcenter.com

 72 71  0  0  1  0  0  0  0  0999 V2000
    6.6868    1.0630   -1.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1445    1.0671   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7815    2.1908    0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    2.2568    1.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    3.3677    2.5720 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6681    4.7571    1.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8207    2.0354    4.6292 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4658    4.1964    6.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022    4.4674    5.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1809    5.6083    5.7938 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.7223    5.5108    5.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3033    5.6670    4.2694 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9215    4.5880    3.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8313    5.6827    4.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4525    5.8381    2.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9694    5.7403    3.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5675    5.9242    1.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0944    5.8804    1.6738 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5308    4.6173    2.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7036    6.0815    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4280    6.3245    7.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
M  END
$$$$

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2024-01-10, 2265👍, 0💬