Molecule FYI-1011914

A

Molecule Summary:

ID: FYI-1011914
Names:
InChIKey: KGGVWMAPBXIMEM-UHABWWFJSA-N
SMILES: CCCCCCCCCC[C@H](O)[C@H]3CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]1CC(CC(C)=O)C(=O)O1)O2)O3

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011914 Edit

Molecule Structure InChIKey: KGGVWMAPBXIMEM-UHABWWFJSA-N

Molecule Structure SMILES String: CCCCCCCCCC[C@H](O)[C@H]3CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]1CC(CC(C)=O)C(=O)O1)O2)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011914
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
   34.0093    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6779    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6375    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3061    0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2656    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9342    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8937    1.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5623    1.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5218    2.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1904    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1499    2.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4410    4.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7200    4.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5737    6.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2043    6.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5043    5.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6349    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3349    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3981   10.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1191    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2654    8.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9067   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6943    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4818   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2694    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0570   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8446    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4196    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7823   10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5699    9.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910   10.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541    7.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    6.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4236    8.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    9.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924   10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   11.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9067   11.6381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8185    2.5208    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
 20 21  1  1  0  0  0
 17 21  1  6  0  0  0
 22 20  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  1  1  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 38 33  1  0  0  0  0
 39 35  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 22 43  1  1  0  0  0
 11 44  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2024-10-14, 1511👍, 0💬