HMDB0241215 RDKit 3D 2-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 9.0284 0.1219 2.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 0.9472 1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 -0.0054 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 0.7676 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 -0.2580 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 0.4128 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 -0.6957 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -0.2088 -2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 0.5956 -1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 1.0340 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 0.7766 -1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 -0.0186 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 -0.5667 0.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 -0.2138 -0.7306 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0235 -0.9916 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 -2.1911 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 -3.1005 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 -2.9490 -1.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6014 -4.2479 -1.4831 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8208 -0.1699 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 0.5273 0.7173 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6160 1.1396 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2494 1.6224 1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1082 -0.2679 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9936 0.6780 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -0.2010 3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 -0.8036 1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3796 1.4587 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3272 1.6955 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -0.6678 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 -0.6322 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 1.4132 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 1.4183 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5166 -0.8254 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 -0.8628 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 0.9802 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 1.1103 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 -1.3518 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -1.3412 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 -1.0258 -2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 0.4430 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -0.0377 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 1.4938 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 1.6824 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 1.2102 -2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 -1.3903 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -2.7885 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6438 -1.8867 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 0.5913 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -0.8169 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7026 1.7713 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 0.4509 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4506 1.8779 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8978 1.2668 2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 2.4561 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3088 1.9767 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9628 0.2156 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4362 -0.3341 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -1.2845 0.9987 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 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 M CHG 2 19 -1 21 1 M END