HMDB0031509 RDKit 3D Ethyl (±)-3-hydroxyhexanoate 27 26 0 0 0 0 0 0 0 0999 V2000 -2.9420 1.7947 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 0.4729 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.1111 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -1.4049 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -1.1461 -1.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 -2.2000 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -1.5070 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 -2.1222 1.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 -0.2362 0.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 0.3214 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 1.7120 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 1.6252 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 2.2557 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 2.4948 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 -0.2515 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 0.6758 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.6278 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -0.2350 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 -2.0315 -0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 -1.3470 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -2.4547 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -3.1238 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -0.3592 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 0.3271 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 2.4184 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 2.0861 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.7181 -1.2815 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END