Molecule FYI-1006106

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Molecule Summary:

ID: FYI-1006106
Names:
InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N
SMILES: O=C(O)/C=C/c1ccc(O)c(O)c1

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006106 Edit

Molecule Structure InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

Molecule Structure SMILES String: O=C(O)/C=C/c1ccc(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006106
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   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
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
  2  1  2  0  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006106-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    3.3190   -1.7785    0.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965    0.8849    0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5229    0.9658    0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902   -1.1869   -0.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725   -0.1250   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -1.1270    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630    1.2122   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879   -0.7918    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.5453   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160    1.5473   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   -0.4746   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3077    0.3952    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7095   -0.0669    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -2.1734    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423    2.0284   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    2.5925   -0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -1.5038   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    1.4238    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003   -1.3667    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772    1.8522   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4698    0.7109    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1514👍, 0💬