HMDB0241765 RDKit 3D Nona-3,7-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 5.7753 1.9109 -1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 0.4570 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 0.0359 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -1.4048 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -1.7804 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -1.4416 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 -0.6049 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 -0.2979 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 -0.6773 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -1.1863 1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -0.5047 -0.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -0.8503 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -1.9181 -0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 -3.1763 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 -3.4355 -0.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4906 -4.1935 -1.8265 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9241 0.3377 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 1.4482 0.6488 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6351 2.3626 0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 1.0866 1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 2.2390 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 2.4932 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 2.0745 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 2.3028 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -0.2538 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 0.7413 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 -1.6536 1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 -2.0310 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -1.3554 2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 -2.8978 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -1.9278 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 -0.1448 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 0.8171 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -0.7430 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -1.2805 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 -1.4934 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -2.0345 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 0.0789 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 0.6802 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 2.9353 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6831 3.0791 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 1.8260 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 0.1078 2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 1.1585 1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 1.8383 2.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 2.0442 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 3.3317 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 1.9004 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M CHG 2 16 -1 18 1 M END