HMDB0241745 RDKit 3D Non-4-enoylcarnitine 50 49 0 0 0 0 0 0 0 0999 V2000 6.7579 1.7941 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 0.5804 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 0.0094 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -1.2020 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -0.8303 -0.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -0.9919 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -1.5564 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4207 -0.5355 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.2007 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 0.6685 -0.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 -0.7988 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -0.4226 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 -1.6181 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -2.7836 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 -2.9668 -1.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 -3.7637 -0.9241 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9525 -0.0272 -0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.1062 0.0127 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2521 2.2392 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 0.7643 1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 1.5176 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 2.2948 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 1.4561 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 2.4971 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 -0.1970 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 0.9488 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8318 -0.3351 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 0.7523 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 -1.6727 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 -1.9444 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -0.3948 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 -0.6761 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0338 -1.9801 1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.4154 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 -0.8797 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.3774 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 0.3761 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2873 -1.4106 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6373 -1.9099 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 -0.8560 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.2797 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 2.3798 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 3.1591 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 2.2907 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 0.9972 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 -0.3012 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 1.3475 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 2.2281 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 0.6083 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5932 1.9979 -0.9572 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 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 6 32 1 0 7 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