Molecule FYI-1007233

A

Molecule Summary:

ID: FYI-1007233
Names:
InChIKey: CHXJGEJCRYGLGD-FVEYCXCFSA-N
SMILES: CC6=C4C(c1ccc(O)cc1)[C@H]3[C@@H](CC=C2C[C@@H](O)CC[C@@]23C)[C@@H]4C(c5ccc(O)cc5)C[C@]68O[C@@H]7C[C@H](C)CN[C@H]7[C@H]8C

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007233 Edit

Molecule Structure InChIKey: CHXJGEJCRYGLGD-FVEYCXCFSA-N

Molecule Structure SMILES String: CC6=C4C(c1ccc(O)cc1)[C@H]3[C@@H](CC=C2C[C@@H](O)CC[C@@]23C)[C@@H]4C(c5ccc(O)cc5)C[C@]68O[C@@H]7C[C@H](C)CN[C@H]7[C@H]8C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007233
FYIcenter.com

 44 51  0  0  1  0  0  0  0  0999 V2000
    5.0765   14.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439   13.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806   11.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1480   10.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787   10.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    8.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9113    8.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8480    9.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8708    7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    6.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4934    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    4.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4934    3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5315    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9238    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4552    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7462    5.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337    6.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2426    7.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8475    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    8.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418   11.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   12.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0252    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1578    5.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4368    6.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5832    7.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4507    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1717    7.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    5.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899    5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    3.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    3.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8622    8.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3488    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  0  0  0  0
 23 11  1  0  0  0  0
 24 23  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 20 26  1  6  0  0  0
 17 27  1  6  0  0  0
  6 28  1  6  0  0  0
  5 29  1  6  0  0  0
 30 29  1  0  0  0  0
 30  2  1  0  0  0  0
 22 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 31 32  2  0  0  0  0
 10 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 34 43  1  0  0  0  0
 40 44  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2024-02-18, 1341👍, 0💬