HMDB0241055 RDKit 3D 2,4-dimethylheptanedioylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 3.7950 -1.8292 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -0.9361 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 -0.1713 -1.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 0.7801 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 0.4035 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4978 -0.6895 -0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 1.5017 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -0.0963 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8247 -0.7623 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -1.6015 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2626 0.2599 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 1.4372 0.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 -0.0444 1.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 0.8994 1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 1.0484 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -0.2535 3.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9941 -1.2734 2.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1644 -0.4062 4.6995 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7959 0.5729 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 0.4267 -0.8324 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1715 0.1622 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 1.6114 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 -0.7013 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 -1.3636 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 -2.6884 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -2.4278 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -1.6587 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 0.3687 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 -0.9279 -2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 1.7400 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4975 1.2466 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4267 1.9625 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.6114 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 0.6273 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -1.4510 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -1.3564 1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 -2.6677 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -1.4739 2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 1.8744 0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.3696 3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 1.7722 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 1.4606 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 -0.3027 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8213 0.7192 -0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -0.9251 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 0.3795 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 2.1064 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 1.3304 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1987 2.3609 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 -1.3057 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 -0.3317 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -1.3876 -0.4128 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 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 M CHG 2 18 -1 20 1 M END