Molecule Editor

Molecule ID: FYI-1015829 Edit

Molecule Structure InChIKey: HVKUASSSTFDQDK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2C=C1CCC(O)CC1O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015829
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.3934    0.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    3.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9823    2.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6265    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8498    0.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015829-3D
FYIcenter.com

 21 22  0     1  0  0  0  0  0999 V2000
   -1.4563   -1.1419    0.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773   -0.9790   -0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4278   -0.3844   -0.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159   -0.5293    0.7297 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9631   -1.2021    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342   -0.3551    0.1748 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0207    1.0773   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629    0.8634    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190    1.7671    0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    1.0811   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823   -0.1972   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038   -0.5676    1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -2.2039    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411   -1.3809   -1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408   -0.3272    1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8855    1.0507   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    1.6706   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6181    2.7192   -0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489    1.9941    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9548    1.9803   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -0.4319   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$