Molecule FYI-1010697

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A

Molecule Summary:

ID: FYI-1010697
Names:
InChIKey: VEXDRERIMPLZLU-IUYQGCFVSA-N
SMILES: C[C@@H](O)[C@H](C)C(=O)O

Received at FYIcenter.com on: 2024-07-02

Molecule ID: FYI-1010697 Edit

Molecule Structure InChIKey: VEXDRERIMPLZLU-IUYQGCFVSA-N

Molecule Structure SMILES String: C[C@@H](O)[C@H](C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010697
FYIcenter.com

  8  7  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.4000    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
    3.6373    3.5000    0.0000 C   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 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    3.5000    0.0000 O   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  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010697-3D
FYIcenter.com

 18 17  0     1  0  0  0  0  0999 V2000
   -1.5581    1.3477   -0.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    1.5001   -0.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617   -0.2479    1.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367   -0.4321   -0.7460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3699   -0.0658   -0.2270 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3068   -1.9351   -0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -0.4153    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128    0.2485    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1523   -0.0758   -1.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364   -0.5560   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2989   -2.3544    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2911   -2.1529   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431   -2.4674   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4747   -1.4859    1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011   -0.1277    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116    0.1393    1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4506    1.5810   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    1.9358    0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1700👍, 0💬