Molecule FYI-1011924

A

Molecule Summary:

ID: FYI-1011924
Names:
InChIKey: MFMVPOLQJBZZHS-UCOKPGBNSA-N
SMILES: CCCCCCCCC/C=C\\CC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(=O)CCCC[C@@H]1CC(CC(C)=O)C(=O)O1)O2

Received at FYIcenter.com on: 2024-08-13

Molecule ID: FYI-1011924 Edit

Molecule Structure InChIKey: MFMVPOLQJBZZHS-UCOKPGBNSA-N

Molecule Structure SMILES String: CCCCCCCCC/C=C\CC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(=O)CCCC[C@@H]1CC(CC(C)=O)C(=O)O1)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011924
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
   28.3313   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3313    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1189    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1189    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9065    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9065    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6941    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6941    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4817    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2693    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0568    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8444    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6319    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6319    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7646    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3319    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9319    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4993    2.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1091    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167    5.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8938    6.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5015    6.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6785    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2863    7.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634    8.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0328    9.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    8.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2481    9.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    9.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330   10.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406   10.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038   11.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    9.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    8.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    8.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6785    6.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4195    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  3  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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
 18 19  1  1  0  0  0
 15 19  1  6  0  0  0
 20 18  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
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  1  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 37 32  1  0  0  0  0
 38 34  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 20 42  1  1  0  0  0
 14 43  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-10-14, 1119👍, 0💬