Molecule FYI-1011921

A

Molecule Summary:

ID: FYI-1011921
Names:
InChIKey: JHKNWORCLXKZFL-GCIOFLGLSA-N
SMILES: CCCCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(O)CCCCCCC1=C[C@H](C)OC1=O)O2

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

Molecule ID: FYI-1011921 Edit

Molecule Structure InChIKey: JHKNWORCLXKZFL-GCIOFLGLSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(O)CCCCCCC1=C[C@H](C)OC1=O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011921
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
   35.9588    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1359    5.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7436    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9207    4.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5284    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7055    3.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3132    4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4902    2.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0979    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2750    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8827    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0598    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6675    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0980    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7980    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8612    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5823    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7286    2.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9450    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7326    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    2.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    1.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    6.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698    6.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8446    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  1  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
 17 18  1  1  0  0  0
 14 18  1  6  0  0  0
 19 17  1  0  0  0  0
 20 19  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  1  0  0  0  0
 28 27  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  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 32  1  0  0  0  0
 37 36  2  0  0  0  0
 34 38  1  1  0  0  0
 39 25  1  0  0  0  0
 19 40  1  1  0  0  0
 13 41  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-10-14, 1507👍, 0💬