HMDB0241684 RDKit 3D (2E)-Hept-2-enoylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 6.1612 -0.5495 -1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7901 -0.0456 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 0.0097 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.4829 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 0.5422 1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 1.6723 1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 1.6962 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.7310 1.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 0.5428 1.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 0.4623 1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 -0.4833 2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -1.8380 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 -1.9928 1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5159 -2.9851 1.9601 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2264 0.0645 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5711 -0.0907 -0.7083 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5602 0.0110 -2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 0.9130 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 -1.4455 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 -1.2626 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4609 0.3501 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 -1.0809 -2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 0.9957 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2366 -0.6940 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -1.0301 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 0.7154 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2737 1.4629 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -0.2570 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 -0.3853 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 2.5735 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 1.5203 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -0.0841 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -0.5225 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 0.7848 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -0.9183 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 -0.2989 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 -0.7174 -2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.0529 -2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 1.4391 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 0.4290 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 1.7245 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 -1.7098 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 -2.1733 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -1.6114 0.5564 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 2 3 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 M CHG 2 14 -1 16 1 M END