Molecule FYI-1007562

A

Molecule Summary:

ID: FYI-1007562
Names:
InChIKey: KVVVUVYLTKYHAH-GYKQZUNLSA-O
SMILES: CC/C=C\\C[C@H](O)[C@H](O)C=CCCC(=O)CCC/C=C/CCOCCOCCOCCOc1ccccc1C(=O)O[o+]3c(=O)c(=O)c2c(O)cc(O)cc2c3=O

Received at FYIcenter.com on: 2024-03-01

Molecule ID: FYI-1007562 Edit

Molecule Structure InChIKey: KVVVUVYLTKYHAH-GYKQZUNLSA-O

Molecule Structure SMILES String: CC/C=C\C[C@H](O)[C@H](O)C=CCCC(=O)CCC/C=C/CCOCCOCCOCCOc1ccccc1C(=O)O[o+]3c(=O)c(=O)c2c(O)cc(O)cc2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007562
FYIcenter.com

 56 58  0  0  1  0  0  0  0  0999 V2000
   31.5233    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5854    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    4.9000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   33.9481    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9481    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  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
 24 19  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  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
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  3  0  0  0
 48 47  1  0  0  0  0
 48 49  1  1  0  0  0
 50 48  1  0  0  0  0
 50 51  1  6  0  0  0
 52 50  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-03-17, 1036👍, 0💬