HMDB0010717 RDKit 3D 3-Oxohexanoic acid 19 18 0 0 0 0 0 0 0 0999 V2000 -3.0569 0.1822 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 0.7298 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -0.3868 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 0.0670 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 0.8045 -1.6638 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -0.3946 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 0.1201 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 0.8919 -0.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -0.2661 0.8384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7409 1.0010 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 -0.2013 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 -0.6535 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.6248 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 0.9797 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -1.2272 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -0.7741 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.0249 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6017 -1.4978 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 -0.3821 1.8368 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 4 6 1 0 6 7 1 0 7 8 2 0 7 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 6 17 1 0 6 18 1 0 9 19 1 0 M END