HMDB0037000 RDKit 3D alpha-Turmerone 38 38 0 0 0 0 0 0 0 0999 V2000 3.7421 0.7137 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8008 0.6101 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 1.2159 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 0.0625 -1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.5924 -1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -1.0293 -2.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 -0.7582 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -1.3303 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 -1.4225 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.4702 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 0.8587 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 1.3389 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 0.5921 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 1.1769 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 -0.6100 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -1.2513 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 1.5322 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 -0.2613 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 1.0516 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5271 0.3639 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 1.9807 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 1.7359 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2168 0.1194 -2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 0.1148 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -1.5793 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 -2.3497 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 -0.4077 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 -1.8362 2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -2.1701 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -0.2829 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 1.4658 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 2.3381 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4388 1.9311 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 1.7592 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7767 0.3818 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6934 -1.1901 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 -1.5687 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4457 -2.2334 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 10 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 M END