Molecule FYI-1014229

A

Molecule Summary:

ID: FYI-1014229
Names:
InChIKey: CHBITXAMNKHJCR-VGYCLGPVSA-N
SMILES: O=C6OC[C@@H](O)[C@H]([C@@H]3OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c(O)c4c2C(=O)O[C@H]3[C@H]4O)OC(=O)c5cc(O)c(O)c(O)c5c7c(O)c(O)c(O)cc67

Received at FYIcenter.com on: 2025-03-13

Molecule ID: FYI-1014229 Edit

Molecule Structure InChIKey: CHBITXAMNKHJCR-VGYCLGPVSA-N

Molecule Structure SMILES String: O=C6OC[C@@H](O)[C@H]([C@@H]3OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c(O)c4c2C(=O)O[C@H]3[C@H]4O)OC(=O)c5cc(O)c(O)c(O)c5c7c(O)c(O)c(O)cc67

Download SDF Download SVG Structure in 2D SDF:

FYI-1014229
FYIcenter.com

 56 62  0  0  1  0  0  0  0  0999 V2000
    6.7425    7.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2734    8.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3036    6.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848    5.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    5.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    4.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3176    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7081    1.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8355    2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040    3.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4450    4.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9594    5.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3371    5.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280    6.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0943    1.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8397    0.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588    1.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2181    1.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1819    8.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    7.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3972    6.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776    4.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7926    5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7942    6.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308    7.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7088    9.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    9.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    7.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3258    6.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7983    7.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2405    8.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4079    9.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0342    9.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016   10.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7426   11.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8279   10.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6142    8.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    6.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7848    5.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9905    4.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970    3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    4.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2928    9.6391    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
  3  4  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 21  1  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 14  1  0  0  0  0
 25 11  1  0  0  0  0
 26 10  1  0  0  0  0
 27  9  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 29 39  1  6  0  0  0
 40 35  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 45 40  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 46  1  0  0  0  0
 28 48  1  1  0  0  0
 49 43  1  0  0  0  0
 50 42  1  0  0  0  0
 51 41  1  0  0  0  0
 52 34  1  0  0  0  0
 53 33  1  0  0  0  0
 54 32  1  0  0  0  0
 30 55  1  6  0  0  0
  2 56  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2025-04-11, 417👍, 0💬