Molecule Editor

Molecule ID: FYI-1014826 Edit

Molecule Structure InChIKey: WTHALBGHJTZWAL-LYQIAGQMSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014826
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  5  8  1  1  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
 10 11  1  0  0  0  0
  2 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014826-3D
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    0.9374    0.0986    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949   -0.1200    0.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9501   -1.2347    0.6183 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3242   -1.1689   -0.0801 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9126    0.1223    0.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234   -1.5353   -1.5774 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5958   -0.4721   -2.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -2.8067   -1.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836   -2.8808   -1.1645 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7354   -4.1465   -1.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -2.6160    0.3598 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1424   -3.6092    1.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -4.7371    1.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045   -5.6928    2.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -4.9824    1.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430    1.0465    0.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398    0.1702    1.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330   -0.6900    0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -1.0725    1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9942   -1.8913    0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    0.7644   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495   -1.6625   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319   -0.3084   -2.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607   -0.7953   -3.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1074    0.4900   -2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -2.1517   -1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -4.8074   -0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2993   -2.6511    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698   -5.2086    2.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469   -6.5411    1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -6.0349    3.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  1  0  0  0
  4  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  1  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  6  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$