Molecule FYI-1011928

A

Molecule Summary:

ID: FYI-1011928
Names:
InChIKey: GVOIUHBESPKKAN-GCIOFLGLSA-N
SMILES: CCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(O)CCCCCCCCC1=C[C@H](C)OC1=O)O2

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

Molecule ID: FYI-1011928 Edit

Molecule Structure InChIKey: GVOIUHBESPKKAN-GCIOFLGLSA-N

Molecule Structure SMILES String: CCCCCCCCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCC(O)CCCCCCCCC1=C[C@H](C)OC1=O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011928
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
   36.1684    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3455    4.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9530    5.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1302    3.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7378    4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9150    2.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5226    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6997    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3074    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4845    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0922    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5228    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2228    3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2860    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0070    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1533    2.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5199    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    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    3.6240    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    3.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5199    6.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    6.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2692    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
 15 16  1  1  0  0  0
 12 16  1  6  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  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 23  1  0  0  0  0
 17 40  1  1  0  0  0
 11 41  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-10-14, 1249👍, 0💬