Molecule FYI-1016747

A

Molecule Summary:

ID: FYI-1016747
Names:
InChIKey: QZERZSUXEAADFZ-LAYOLSKISA-N
SMILES: COc2cc(O)c(OC)c(/C=C/C(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@H]1O)c2

Received at FYIcenter.com on: 2026-03-05

Molecule ID: FYI-1016747 Edit

Molecule Structure InChIKey: QZERZSUXEAADFZ-LAYOLSKISA-N

Molecule Structure SMILES String: COc2cc(O)c(OC)c(/C=C/C(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@H]1O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016747
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  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
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 25 23  1  0  0  0  0
 25 17  1  0  0  0  0
 25 26  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016747-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
   20.7319    2.4403    1.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7484    3.4290    1.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5035    2.9748    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1506    1.6417    1.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8353    1.3065    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5459   -0.0213    0.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8384    2.2933    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5204    2.0160    0.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0052    0.8201    0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1949    3.6540    0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2552    4.8090    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1441    4.9377   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2529    6.1303   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2896    6.2623   -0.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6137    6.9910    0.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7493    8.1200    1.1364 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5541    8.2205    2.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6981    9.3077    2.9262 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4008    9.1858    4.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008   10.6301    2.5857 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6012   11.7475    2.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014   10.6884    1.0767 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4853   10.9772    0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4060    9.4125    0.5752 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7958    9.4998    0.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5347    3.9663    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6599    2.9538    2.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9391    1.8203    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4318    1.8250    2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8838    0.8534    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3279   -0.5584    0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9194    0.9252    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3890    0.6499    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1977   -0.0393    0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5515    5.6298    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8149    4.1641   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7627    7.9735    0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404    9.2269    2.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3257    9.1207    4.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8390    8.2657    4.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082   10.0293    4.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3436   10.6834    3.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1827   12.0887    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3485   11.5573    0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433   10.1749    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3796    9.3706   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8637    9.3754    1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8361    5.0056    1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 16 15  1  0  0  0  0
 16 37  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  6  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  1  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  6  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  6  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

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2026-03-22, 800👍, 0💬