HMDB0031294 RDKit 3D 2-Octanone 25 24 0 0 0 0 0 0 0 0999 V2000 3.3352 -0.4520 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 0.0274 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 -0.3819 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 0.1761 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 -0.2736 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 0.3097 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 -0.0137 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 0.4850 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2487 -0.6948 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -0.1011 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 0.0335 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -1.5514 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 1.1352 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 -0.4023 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 0.0363 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -1.4689 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 1.2838 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -0.1765 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 0.1468 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 -1.3847 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 1.4198 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -0.0340 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0265 0.4404 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1794 -0.1135 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 1.5543 -0.1550 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 2 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 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 M END