HMDB0031541 RDKit 3D 3-Methyl-2-cyclohexen-1-one 18 18 0 0 0 0 0 0 0 0999 V2000 2.4044 0.1500 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 0.1637 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 1.2497 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.2768 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 2.3202 -0.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 -0.0345 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.8046 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -1.0775 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8263 -0.0453 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 1.1200 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 -0.7098 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 2.1331 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 0.0426 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -0.5771 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -1.7448 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 -0.1323 1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 -1.7747 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -1.5556 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 2 1 0 1 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 8 17 1 0 8 18 1 0 M END