Molecule FYI-1006223

A

Molecule Summary:

ID: FYI-1006223
Names:
InChIKey: IAJILQKETJEXLJ-RSJOWCBRSA-N
SMILES: O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O

Received at FYIcenter.com on: 2023-12-03

Molecule ID: FYI-1006223 Edit

Molecule Structure InChIKey: IAJILQKETJEXLJ-RSJOWCBRSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006223
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    3.6373    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
    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  3  2  0  0  0  0
  5  2  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006223-3D
FYIcenter.com

 23 22  0     1  0  0  0  0  0999 V2000
    0.6566   -0.6164   -1.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962    0.8097    1.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    1.7425   -0.3799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2384   -1.5404    0.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088   -1.3519    0.9824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    0.0970   -0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3508    0.0812    0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293   -0.2434   -0.1033 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9179    0.5073   -0.0051 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6386    0.5617    0.3988 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1029   -0.2992   -0.5566 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9280   -0.2191    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3980    0.4711   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3641   -1.1703    0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662    1.4558   -0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5320    0.8504    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708   -0.4956   -1.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.2020   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    1.4955    1.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4476    1.4345   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    2.2814    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285   -2.0487   -0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   -1.8739    0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
$$$$

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2023-12-10, 1232👍, 0💬