HMDB0006320 RDKit 3D 2,6 Dimethylheptanoyl carnitine 52 51 0 0 0 0 0 0 0 0999 V2000 6.6850 0.8387 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 0.2442 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 -1.1012 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 0.0669 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 -0.5109 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 0.3379 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -0.3836 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 -1.7325 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 0.4061 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 1.5449 -0.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 -0.1814 -0.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 0.4814 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2287 0.6758 -1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -0.5785 -2.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -1.2479 -2.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -1.0187 -3.4214 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1668 -0.3721 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 0.0036 1.1861 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4044 -1.0203 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8871 1.3232 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 0.0256 2.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3788 0.0033 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7449 1.6183 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8717 1.2784 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 0.9585 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 -1.9018 0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -1.2003 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -1.3162 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 1.0473 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 -0.6124 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 -1.5275 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 -0.6344 -2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 1.3182 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 0.4676 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.5387 -2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -2.1183 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -2.4657 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 -1.7726 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 1.4667 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1062 1.3542 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 1.2519 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -1.4062 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -0.5075 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0782 -1.1311 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 -1.9834 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0608 -0.8096 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1081 2.0471 0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 1.2053 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4303 1.7869 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6564 -0.8585 2.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 0.9803 2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2591 0.0441 3.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 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 3 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 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 17 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 21 50 1 0 21 51 1 0 21 52 1 0 M CHG 2 16 -1 18 1 M END