HMDB0031684 RDKit 3D 2-Methyloctanal 28 27 0 0 0 0 0 0 0 0999 V2000 -3.7656 0.2955 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 -1.1029 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 -0.9706 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 -0.2513 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -0.1900 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 0.5039 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 0.6149 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.3730 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 -0.7416 -0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5946 -0.8740 -0.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 1.0622 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 0.4891 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 0.4310 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 -1.7545 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -1.5481 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -0.4105 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -1.9767 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 0.8055 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.7635 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7209 -1.2458 0.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.3892 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 1.5294 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 -0.0276 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 1.1400 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 2.0217 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 0.6897 1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0268 2.0837 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -1.5717 -0.1072 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 M END