HMDB0033908 RDKit 3D (±)-2-Heptanol 24 23 0 0 0 0 0 0 0 0999 V2000 3.1260 0.0478 -0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 -1.0124 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -0.6335 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 0.6689 -0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 1.1878 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 0.2923 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 -0.0132 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 -0.8923 1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 -0.4536 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 0.8626 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1824 0.4957 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 -2.0228 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 -1.0495 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -0.4801 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -1.4705 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 0.5358 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1316 1.4141 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.3000 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 2.1628 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 0.8544 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -0.2260 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 0.8135 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.9730 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -1.4090 1.1318 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 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 M END