HMDB0032451 RDKit 3D 4-Octen-3-one 23 22 0 0 0 0 0 0 0 0999 V2000 -2.2736 1.5124 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 0.0649 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -0.8667 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 -0.6573 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 -1.6028 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -1.3918 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.3299 -0.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -0.1171 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 1.0015 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 1.6596 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 1.6838 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 2.1979 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 -0.0485 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -0.1176 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 -1.9041 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -0.6453 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 0.2837 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 -2.5382 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -0.2827 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 0.1767 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 1.3150 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 1.8938 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 0.7127 -1.4376 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 6 7 2 0 6 8 1 0 8 9 1 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 5 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END