Molecule FYI-1003176

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A

Molecule Summary:

ID: FYI-1003176
Names:
InChIKey: UNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES: OC[C@H](O)[C@H](O)CO

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003176 Edit

Molecule Structure InChIKey: UNXHWFMMPAWVPI-ZXZARUISSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003176
FYIcenter.com

  8  7  0  0  1  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    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
    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 O   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
    0.0000    1.4000    0.0000 O   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
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003176-3D
FYIcenter.com

 18 17  0     1  0  0  0  0  0999 V2000
    0.9400   -0.9642   -1.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427   -1.4335    0.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552    0.4937    0.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7196    0.9795   -0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.4595    0.2498 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7316   -0.1953    0.5195 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5975    0.8091    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557    0.7703   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378   -1.2331    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8575    0.1899    1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3007    1.5822   -0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472    1.2206    1.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652    1.7461   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    0.3529   -1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3845   -1.7578   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -1.2397    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9804    0.1220   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347    1.3774    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2416👍, 0💬