Molecule FYI-1016202

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Molecule Summary:

ID: FYI-1016202
Names:
InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N
SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016202 Edit

Molecule Structure InChIKey: WTDRDQBEARUVNC-LURJTMIESA-N

Molecule Structure SMILES String: N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016202
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  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 10  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016202-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    2.5189   -2.0482    0.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8525   -1.4781   -1.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0510   -0.0382   -0.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500   -1.3470    0.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5526    1.3806   -0.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018    0.9726    0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993    0.6704   -0.2586 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1315    0.6987    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   -0.5593    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815    1.7113   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893   -0.8120    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -0.8068   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044    1.4588   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7582    0.1972   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494    0.3973    1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716    2.0279    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    0.9952   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713   -1.3472    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4581    2.6960   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    2.2536   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3785    2.3851   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9073    1.1480    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410   -2.0445    0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900   -2.4283   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254    0.7730   -0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$

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2025-12-09, 369👍, 0💬