Molecule Editor

Molecule ID: FYI-1003549 Edit

Molecule Structure InChIKey: PLKWDGDBKUZTFA-GVFUAVMUSA-N

Molecule Structure SMILES String: C[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003549
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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 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 C   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
    6.0621    2.1000    0.0000 O   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
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 16  8  1  0  0  0  0
 16 17  1  6  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21  3  1  0  0  0  0
 21 22  1  6  0  0  0
 23  1  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  6  0  0  0
 26 24  1  0  0  0  0
 26 27  1  6  0  0  0
 28 26  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30  1  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003549-3D
FYIcenter.com

 63 65  0     1  0  0  0  0  0999 V2000
   -2.3826    0.4546   -0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944    0.1799    0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    2.2671   -0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425   -1.1868    1.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6589   -1.5113    0.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -1.0801   -1.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971    3.0032   -1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414   -2.3672   -0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882    1.9181    0.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    1.3559    1.8796 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0384    0.8054   -0.1344 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1147    0.3426   -1.2608 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9244    2.3193    0.0723 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3140    0.8456   -1.0318 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3024    0.0279   -0.0705 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5454    2.7289    0.2391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1405    0.1842    0.7266 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6113   -1.2900   -0.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6052    0.5787    0.5123 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9745    0.0663    1.3016 C   0  0  1  0  0  0  0  0  0  0  0  0
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 31 57  1  0  0  0  0
M  END
$$$$