HMDB0035390 RDKit 3D 5-Octen-2-one 23 22 0 0 0 0 0 0 0 0999 V2000 -3.5861 -0.5083 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -0.4995 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 0.8646 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.2646 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 0.3636 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 0.4076 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 -0.5011 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -0.5888 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 -1.1314 1.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8695 -1.5760 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -0.0501 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 -0.0136 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -0.7895 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.2790 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 1.5949 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 2.3270 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 0.8614 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 -0.6505 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 1.4814 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 0.1841 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 -1.0415 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 0.4653 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 -1.1852 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 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 4 16 1 0 5 17 1 0 5 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