HMDB0241041 RDKit 3D 3-Methylheptanoylcarnitine 49 48 0 0 0 0 0 0 0 0999 V2000 5.6212 -0.4434 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 0.0559 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 -0.8615 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 -0.6114 1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 0.6651 1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.9170 1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 0.9042 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -0.0725 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 -0.9851 0.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 0.0384 -1.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 -0.8500 -1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -1.5092 -2.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -2.2762 -2.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -2.3931 -1.8732 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 -2.9545 -3.9287 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4573 -0.1698 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6512 0.4443 0.2884 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8290 1.6094 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0568 0.8944 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -0.4471 1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5037 0.2191 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8553 -1.5019 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 -0.3090 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5001 0.0509 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.1204 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -0.9749 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -1.8937 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -1.4558 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 -0.8035 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 0.6010 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 2.5363 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 2.6011 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 1.8115 1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 1.0660 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 1.9129 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -1.5965 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 -0.6891 -3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -2.1668 -2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -0.9229 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 0.6292 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4588 2.5029 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2459 1.9297 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 1.4920 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 1.6296 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 1.3167 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 -0.0131 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -1.5251 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.1712 1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -0.3505 2.1002 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 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 M CHG 2 15 -1 17 1 M END