Molecule FYI-1007125

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A

Molecule Summary:

ID: FYI-1007125
Names:
InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N
SMILES: COc2c1occc1cc3ccc(=O)oc23

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007125 Edit

Molecule Structure InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2c1occc1cc3ccc(=O)oc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007125
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.8902    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    2.1000    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  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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  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
 16 14  1  0  0  0  0
 16  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007125-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
    2.9262   -0.6841    0.1847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9069   -0.9016    0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864   -2.2724    0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1969   -0.8986    0.1036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101    1.2076   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637   -0.1757    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7108    1.2100   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938   -0.1768    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4872   -0.9183    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    1.9204   -0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889    1.5473   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9943    1.8883   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    0.3666    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1326    1.1929   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441   -0.2725    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1371   -3.0330   -0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5090    3.0009   -0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5237    2.5320   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115    2.9666   -0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    0.1183    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0913    1.6956   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -2.6084   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -4.0466   -0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -3.0942   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

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2024-02-11, 546👍, 0💬