HMDB0035239 RDKit 3D 4-Hexen-3-one 17 16 0 0 0 0 0 0 0 0999 V2000 3.1643 0.1450 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 0.3255 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -0.0526 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 0.1024 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 0.5911 -1.5625 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7369 -0.3347 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -0.0684 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 0.4209 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.9160 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 0.7914 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 0.7494 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 -0.4810 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6115 -1.4391 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 0.2264 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 0.8211 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0812 -0.9636 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 0.0821 0.1094 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 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 3 12 1 0 6 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 M END