Molecule FYI-1010263

A

Molecule Summary:

ID: FYI-1010263
Names:
InChIKey: AXEGRHYJHHPVDH-GGBROUGNSA-N
SMILES: C/C1=C/C=C\\C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C\\C[C@H](O)/C=C\\[C@H](C)[C@H](O)[C@@H](C)/C=C(C)\\C(=O)c2c(O)c(C)cc3c(=O)c(NC1=O)c(Cl)c(=O)c23

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010263 Edit

Molecule Structure InChIKey: AXEGRHYJHHPVDH-GGBROUGNSA-N

Molecule Structure SMILES String: C/C1=C/C=C\C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C\C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(C)\C(=O)c2c(O)c(C)cc3c(=O)c(NC1=O)c(Cl)c(=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010263
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    0.0000    4.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2471    4.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8312    6.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    7.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8728    8.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283   10.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0497   11.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0032   12.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443   12.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5236   14.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4197   13.4692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9094   14.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9094   12.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   12.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   10.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2731   12.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4549   12.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6367   12.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6367   14.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4549   14.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2731   14.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   14.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   16.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8186   14.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8186   12.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4713   10.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6830   11.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0252    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2981    7.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2772    6.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9635    5.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3715    4.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5291    2.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4756    2.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2604    1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5765    1.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    1.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159    0.6378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    2.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327    3.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338    2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7460    0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300    3.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2498    4.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6314    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3250    9.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7277   12.2373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1358   13.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  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  2  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  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 42  2  1  0  0  0  0
 42 43  1  6  0  0  0
 44 38  1  0  0  0  0
 35 45  1  1  0  0  0
 32 46  1  1  0  0  0
 31 47  1  1  0  0  0
 30 48  1  6  0  0  0
 49 28  1  0  0  0  0
 50 13  1  0  0  0  0
 51  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010263-3D
FYIcenter.com

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