Molecule FYI-1005195

A

Molecule Summary:

ID: FYI-1005195
Names:
InChIKey: HDLJHDFHUGTQCD-QZTJIDSGSA-N
SMILES: c2cc1OCOc1cc2[C@H]5CO[C@@H](c4ccc3OCOc3c4)CO5

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

Molecule ID: FYI-1005195 Edit

Molecule Structure InChIKey: HDLJHDFHUGTQCD-QZTJIDSGSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005195
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  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 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-1005195-3D
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    5.5645    0.0706    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353   -1.0236    1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4221   -1.8918    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1703   -3.0218    0.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7142   -3.5217   -1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427   -2.6656   -1.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033   -1.6908   -0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7383   -0.6159   -1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920    0.2848    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571    1.4084    0.0458 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6151    2.3404    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    3.1465    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9620    3.9407    0.1660 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3086    4.6391    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4334    3.9765    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6909    4.5888    0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998    5.8574    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9384    6.5992    0.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4558    7.7858   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445    7.7460   -0.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7191    6.5098   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4661    5.9334   -0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    3.0881   -1.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    2.2091   -1.1477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777    0.7503    2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884   -1.1915    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2643   -4.5111   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812   -3.6296   -1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0976   -0.4845   -1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.7734    2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    3.0134    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573    4.6862    0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261    2.9676    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5464    4.0810    1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0092    7.9079   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6552    8.6523    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6371    6.4745   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847    2.4857   -1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015    3.7485   -1.9909 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 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 33  1  6  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, 1117👍, 0💬