HMDB0240790 RDKit 3D 4-Methylnonanoylcarnitine 55 54 0 0 0 0 0 0 0 0999 V2000 5.7475 -2.4820 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -1.5189 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5086 -0.1100 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 0.4060 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7848 0.3707 -1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9818 1.2163 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4798 2.6392 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.0638 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 1.8385 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.6084 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 2.3957 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 0.4462 0.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 0.1959 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -0.9531 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7358 -1.4886 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -2.5977 -1.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 -0.8593 -3.0192 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5064 -0.1098 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 -0.3524 1.0011 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1296 -1.7548 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4692 0.3852 2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6779 -0.0096 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -3.1408 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -3.2073 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3779 -1.9863 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 -1.6178 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 -1.7728 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 0.5909 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -0.1144 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 1.4240 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7634 -0.1925 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 -0.6746 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 0.7630 -2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 0.8754 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6998 3.4040 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 2.7747 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 2.8117 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 1.3693 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -0.0180 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 2.8945 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 1.3805 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 1.0445 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -0.6950 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 -1.7790 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9661 -1.0205 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 0.6680 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0192 -2.1595 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1744 -1.8257 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -2.3098 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5372 0.5857 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 1.3618 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3749 -0.2232 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 0.7133 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 0.6042 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 -0.8581 -0.6476 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 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 18 45 1 0 18 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 22 53 1 0 22 54 1 0 22 55 1 0 M CHG 2 17 -1 19 1 M END