Molecule FYI-1017444

A

Molecule Summary:

ID: FYI-1017444
Names:
InChIKey: KLDARLGFVGIIIL-PFROBMDRSA-M
SMILES: O=C2C[C@@H](c1ccc(O)cc1)Oc4c2c([O-])c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c4[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O

Received at FYIcenter.com on: 2026-07-04

Molecule ID: FYI-1017444 Edit

Molecule Structure InChIKey: KLDARLGFVGIIIL-PFROBMDRSA-M

Molecule Structure SMILES String: O=C2C[C@@H](c1ccc(O)cc1)Oc4c2c([O-])c([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)c4[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1017444
FYIcenter.com

 42 46  0  0  1  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  6  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  1  0  0  0
 25 24  1  0  0  0  0
 21 26  1  1  0  0  0
 20 27  1  1  0  0  0
 19 28  1  1  0  0  0
 29 14  1  0  0  0  0
 30 13  1  1  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 30  1  0  0  0  0
 34 36  1  1  0  0  0
 37 36  1  0  0  0  0
 33 38  1  1  0  0  0
 32 39  1  1  0  0  0
 31 40  1  1  0  0  0
 41 12  1  0  0  0  0
 42  3  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2026-07-13, 522👍, 0💬