Molecule FYI-1010123

A

Molecule Summary:

ID: FYI-1010123
Names:
InChIKey: PPTNCWGNQQEDMY-FCENZCCRSA-N
SMILES: CC(=O)OC1C(O)[C@H](O)C(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc2cccc(O)c2C(=O)O

Received at FYIcenter.com on: 2024-05-29

Molecule ID: FYI-1010123 Edit

Molecule Structure InChIKey: PPTNCWGNQQEDMY-FCENZCCRSA-N

Molecule Structure SMILES String: CC(=O)OC1C(O)[C@H](O)C(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc2cccc(O)c2C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010123
FYIcenter.com

 57 58  0  0  1  0  0  0  0  0999 V2000
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4613    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.3111    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5235    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7359    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7359    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1608    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3732    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3732    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1608    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3732    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1608    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 37 40  1  1  0  0  0
 41 40  1  6  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 46 41  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 44 49  1  1  0  0  0
 50 43  1  0  0  0  0
 51 42  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 36 55  1  1  0  0  0
 35 56  1  1  0  0  0
 34 57  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010123-3D
FYIcenter.com

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