Molecule FYI-1015388

A

Molecule Summary:

ID: FYI-1015388
Names:
InChIKey: WTDRDQBEARUVNC-ZCFIWIBFSA-N
SMILES: [NH3+][C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]

Received at FYIcenter.com on: 2025-08-25

Molecule ID: FYI-1015388 Edit

Molecule Structure InChIKey: WTDRDQBEARUVNC-ZCFIWIBFSA-N

Molecule Structure SMILES String: [NH3+][C@H](Cc1ccc(O)c(O)c1)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1015388
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015388-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
   -2.5127   -2.0512    0.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -1.4464   -1.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464   -0.0236   -0.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5169   -1.3743    0.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    1.3781   -0.0233 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    0.9592    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    0.6688   -0.2697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1213    0.6924    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6568   -0.5673    0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8713    1.7134   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817   -0.8134    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397   -0.8070   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962    1.4673   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514    0.2040   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    2.0112    1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3745    1.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200    0.9995   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558   -1.3568    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471    2.6996   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903    2.2639   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9133    1.1409    0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3837    2.3825   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -2.6252    0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9994   -2.4070   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637   -0.9483   -0.3819 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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2025-11-06, 723👍, 0💬