Molecule FYI-1005196

A

Molecule Summary:

ID: FYI-1005196
Names:
InChIKey: HDLJHDFHUGTQCD-HDICACEKSA-N
SMILES: c2cc1OCOc1cc2[C@H]5CO[C@H](c4ccc3OCOc3c4)CO5

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005196 Edit

Molecule Structure InChIKey: HDLJHDFHUGTQCD-HDICACEKSA-N

Molecule Structure SMILES String: c2cc1OCOc1cc2[C@H]5CO[C@H](c4ccc3OCOc3c4)CO5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005196
FYIcenter.com

 24 28  0  0  0  0  0  0  0  0999 V2000
    1.8326    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2470    1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6797    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9858    1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3553    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7879    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    4.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4879    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6205    2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1879    3.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  2  0  0  0  0
  1  6  2  0  0  0  0
 10  8  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 13 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005196-3D
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    5.5844    0.0221    1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440   -1.0779    1.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4696   -1.9594    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2213   -3.0895    0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8218   -3.5956   -1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8753   -2.7475   -1.7946 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6979   -1.7674   -0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408   -0.6933   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    0.2209    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390    1.3499   -0.0030 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6169    2.2896    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7273    3.1958    1.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818    3.9719    0.1116 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8036    5.0467    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    5.9938    1.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576    6.9836    1.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393    7.0095    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081    7.8856    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    7.4396   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841    6.2884   -1.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    6.1007   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446    5.1129   -0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169    3.0337   -1.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9257    2.1065   -1.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692    0.7190    2.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622   -1.2363    2.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689   -4.5847   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7158   -3.7009   -1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.5673   -1.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    0.8535   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    1.7278    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    2.8781    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    4.5040    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718    5.9407    1.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    7.6977    1.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2782    8.2602   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277    7.1910   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8215    4.4073   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    2.4566   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0677    3.6039   -2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10  9  1  0  0  0  0
 10 30  1  6  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  1  0  0  0
 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1121👍, 0💬