Molecule FYI-1003178

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A

Molecule Summary:

ID: FYI-1003178
Names:
InChIKey: PMMURAAUARKVCB-CERMHHMHSA-N
SMILES: OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O

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

Molecule ID: FYI-1003178 Edit

Molecule Structure InChIKey: PMMURAAUARKVCB-CERMHHMHSA-N

Molecule Structure SMILES String: OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003178
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003178-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
    0.7374    1.0507   -0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0913   -2.4948    0.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436   -1.3048   -0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5599    2.9955   -0.0738 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    0.0743    0.0739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442   -1.1776   -0.2024 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5725   -0.5903    0.2785 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9338   -0.2962    0.2327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6703    0.8853   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4291    1.6457    0.3603 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2514   -0.7876   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2592   -1.2619   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753   -0.7212    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0329   -0.2930    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    0.9772   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781    1.3299    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    1.6569    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245   -0.7539   -1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817   -1.8067   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -3.0110    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -1.1983   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791    3.0005   -0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162   -0.2545   -0.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2464👍, 0💬