HMDB0241747 RDKit 3D Non-3-enoylcarnitine 50 49 0 0 0 0 0 0 0 0999 V2000 6.3636 2.2729 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 0.8932 -1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 0.6130 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0202 0.6793 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 0.4047 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 0.4647 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -0.5237 1.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 -1.8496 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 -2.2117 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -3.3395 0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 -1.3372 0.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 -1.7003 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -1.7293 1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0379 -2.1530 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4757 -2.5569 0.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0261 -2.1287 2.5030 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3103 -0.8996 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2749 0.5104 -0.4893 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7370 1.0158 -1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 1.0586 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 1.1255 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 2.6918 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 2.9747 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 2.1640 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 0.1094 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8147 0.8445 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 1.3741 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 -0.4069 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 1.6940 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -0.0646 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -0.5086 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 1.2447 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 1.4301 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 -0.3742 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.5833 1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 -2.0779 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 -2.7446 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -2.5538 2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -0.7784 2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6493 -1.1694 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3059 -1.2120 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 2.1056 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8679 0.8973 -2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 0.4263 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 0.6658 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 2.1630 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 0.9904 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 0.5538 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 2.1555 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 1.3797 1.4263 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 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 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 M CHG 2 16 -1 18 1 M END