HMDB0240831 RDKit 3D 12-Methyltridecanoylcarnitine 67 66 0 0 0 0 0 0 0 0999 V2000 8.9005 0.5379 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1117 0.3956 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5467 -0.8298 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 0.2469 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 0.1025 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 -0.0623 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 1.0893 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.0349 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 1.0515 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 0.0158 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 0.1696 -2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 0.0690 -1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 -1.2856 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 -1.4997 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -2.5940 0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6305 -0.5991 0.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 -0.8441 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 0.0819 2.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1017 -0.1712 2.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 -1.0695 2.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3244 0.7140 4.0307 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.0089 -0.9101 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2987 0.2468 -0.6838 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.1461 -0.2064 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0854 1.2554 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1684 0.8904 -1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9405 0.8113 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9503 -0.4480 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 1.2734 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2946 1.2722 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2844 -0.7290 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 -1.7568 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6459 -0.9501 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 1.0970 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -0.6559 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 0.9849 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 -0.7758 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -0.9813 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8772 -0.3218 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 1.3569 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 2.0125 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 1.8240 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 0.0725 1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 1.0592 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 2.0600 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3711 -0.9902 -0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 0.2672 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0715 1.1609 -2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -0.6431 -2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 0.1521 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 0.9193 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 -1.3173 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -2.0388 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 -1.8590 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 1.1567 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 -0.2019 2.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7846 -1.7383 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8892 -1.2468 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6085 0.6551 -2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5355 -0.8071 -2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9483 -0.8145 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4677 2.0893 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8049 1.7574 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7425 0.8094 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 0.2293 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6282 1.4549 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 1.6678 -1.9984 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 22 57 1 0 22 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 26 65 1 0 26 66 1 0 26 67 1 0 M CHG 2 21 -1 23 1 M END