HMDB0031590 RDKit 3D 3-Methyl-3-hepten-2-one 23 22 0 0 0 0 0 0 0 0999 V2000 -2.5003 0.6692 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 0.1938 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 0.6076 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5049 0.2973 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 -0.4644 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 -1.2411 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -0.5771 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 0.1655 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -1.3118 1.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3326 1.4025 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 1.2068 1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 -0.2228 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 0.6957 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3429 -0.8842 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 1.7641 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6843 0.3485 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 0.8027 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -2.1141 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -1.7449 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.7133 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 1.2524 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3063 -0.1123 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2342 -0.0200 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 M END