Molecule Editor

Molecule ID: FYI-1014782 Edit

Molecule Structure InChIKey: MXTSNLGDJVRMEB-ZJPSUKCRSA-N

Molecule Structure SMILES String: CC(=O)O[C@H]1[C@@H](C)OC(O)[C@H](O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014782
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    5.9777    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1901    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    3.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    2.4904    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  6  1  0  0  0  0
  5  8  1  6  0  0  0
  2  9  1  1  0  0  0
  4 10  1  0  0  0  0
  3 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014782-3D
FYIcenter.com

 28 28  0  0  1  0  0  0  0  0999 V2000
    5.5049    2.1037   -4.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    1.2593   -3.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    0.4303   -3.3970 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    1.5585   -1.9772 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7900    0.9019   -0.8386 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3299   -0.5297   -0.6465 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8397   -0.6636   -0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076   -1.1044    0.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1973   -0.3624    1.7825 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5710   -0.4140    2.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232    1.0620    1.6880 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1795    1.0452    1.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836    1.7587    0.4033 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4090    3.0240    0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    1.8000   -5.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5906    1.9667   -4.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2508    3.1542   -4.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014    0.8759   -0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748   -1.1608   -1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    0.0054   -0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1220   -0.4307   -1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654   -1.6852   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -0.8864    2.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9933    0.4343    1.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9258    1.6624    2.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943    0.1799    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1537    1.9870    0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5065    2.8786    0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5  4  1  0  0  0  0
  5 18  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  6  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  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 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  1  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$