Molecule FYI-1005293

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A

Molecule Summary:

ID: FYI-1005293
Names:
InChIKey: LFHDVXRLUAMVMT-SCSAIBSYSA-N
SMILES: CO[C@H](C=O)CO

Received at FYIcenter.com on: 2023-10-22

Molecule ID: FYI-1005293 Edit

Molecule Structure InChIKey: LFHDVXRLUAMVMT-SCSAIBSYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005293
FYIcenter.com

  7  6  0  0  1  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   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
  2  5  1  1  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005293-3D
FYIcenter.com

 15 14  0     1  0  0  0  0  0999 V2000
   -0.8317    0.9627    0.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    0.0780   -0.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2420   -1.6845    0.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1738    0.2315   -0.2221 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4898    0.4052    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189   -1.2309   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    1.2380   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    0.5780   -1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382   -0.2344    1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143    1.4435    0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -1.8938   -0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915    1.7747    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4029    0.3245   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6373    1.8821   -1.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    0.2064    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  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
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2023-11-02, 428👍, 0💬