HMDB0031290 RDKit 3D 1-Hydroxy-3-octanone 26 25 0 0 0 0 0 0 0 0999 V2000 3.7745 -0.3656 0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8186 -0.8812 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 -0.0517 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 -0.0822 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 0.6968 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.2686 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -0.6515 -1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 0.9806 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8337 0.2114 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0505 -1.0179 -0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5528 -0.7346 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 0.7484 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -0.7668 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 -0.8964 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 -1.9357 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 -0.4386 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 0.9893 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 0.3755 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 -1.1298 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 1.7806 0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 0.5871 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 2.0123 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1012 1.0622 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7645 0.8091 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6313 0.1580 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4525 -1.7282 0.0387 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 2 0 6 8 1 0 8 9 1 0 9 10 1 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 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 M END