Molecule Editor

Molecule ID: FYI-1001021 Edit

Molecule Structure SMILES String: CC([H])(C(=O)c1ccc(c(c1)C([H])([H])([H])O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001021
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001021-3D
FYIcenter.com

 27 27  0  0  1  0  0  0  0  0999 V2000
    1.0633   -1.0099    1.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666   -0.4332    0.6489 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5245    0.0584   -0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    0.5992    1.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043    0.3205    1.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918    1.9675    1.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    2.4156    1.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242    3.7181    1.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977    4.6088    2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472    4.1752    2.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.8521    2.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3588    5.0412    3.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1036    5.6653    3.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6983    5.9114    3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4757    4.2852    4.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1865    4.9753    2.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358    5.8728    2.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273   -1.4963    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -0.2600    2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881   -1.4579    2.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4810   -1.8148    1.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4816    1.7749    1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1070    4.0394    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5910    2.5184    2.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1122    5.8377    1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443    6.2213    2.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -1.9739   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$