Molecule Editor

Molecule ID: FYI-1014784 Edit

Molecule Structure InChIKey: MEMQVWJSCSOGLH-WAJPZODZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014784
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    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 O   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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    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
  6  7  1  1  0  0  0
  5  8  1  1  0  0  0
  4  9  1  6  0  0  0
  3 10  1  0  0  0  0
  1 11  1  1  0  0  0
  7 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-1014784-3D
FYIcenter.com

 30 30  0  0  1  0  0  0  0  0999 V2000
    0.8988    0.1528    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303    0.1978    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8259    0.2093    1.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.2502   -0.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    0.3172   -0.9247 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9104    1.1019   -2.1846 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3071    2.4974   -2.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976    0.4342   -3.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0759   -0.8987   -3.5223 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4882   -0.9136   -3.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -1.7597   -2.3422 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0731   -3.1103   -2.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380   -1.0961   -1.0256 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7146   -1.9143    0.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    0.1077    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601    0.1616   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567    0.4056    2.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.9906    1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2628   -0.7616    1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845    0.8345   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    1.2165   -2.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2186    2.4582   -2.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867    2.9909   -3.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.1191   -1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -1.3204   -4.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9303   -0.7039   -2.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5073   -1.8254   -2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275   -3.1111   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1298   -1.0138   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081   -2.4095   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  1  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  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 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  6  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$