HMDB0241308 RDKit 3D Tridecanoylcarnitine 64 63 0 0 0 0 0 0 0 0999 V2000 6.8440 -0.1125 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4483 -1.5522 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6823 -2.1459 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 -1.5860 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 -1.7026 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -1.0651 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 0.3806 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 1.2746 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 1.3451 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 2.2595 -1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 1.9467 -1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8179 1.7431 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 1.5753 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 1.6452 -1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 1.3633 0.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5636 1.2118 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 2.3340 1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6798 2.3636 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3724 3.1638 1.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3068 1.4928 0.2701 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9556 -0.0924 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2745 -1.2500 0.5753 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9696 -2.4013 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -1.3439 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3742 -1.4185 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 0.4439 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1459 0.3880 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8498 -0.0783 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 -1.6497 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -2.1279 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -3.2626 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3673 -2.2361 -1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 -2.1166 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -0.4847 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 -2.8783 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -1.7023 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 -1.6498 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.3856 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 0.6951 0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 0.6223 2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 1.0579 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 2.3358 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 1.7778 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 0.3485 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 3.3194 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 2.3723 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 0.9823 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 2.7763 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 0.7240 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 2.4961 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 1.2916 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 3.3337 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9011 2.2845 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 -0.2916 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7602 -0.0646 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 -3.3399 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 -2.4589 2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0341 -2.1523 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 -0.6350 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -2.3525 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 -1.2773 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -1.6498 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0053 -2.3082 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -0.5769 -1.4025 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 21 54 1 0 21 55 1 0 23 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 25 64 1 0 M CHG 2 20 -1 22 1 M END