HMDB0240882 RDKit 3D 15-Methyloctadecanoylcarnitine 82 81 0 0 0 0 0 0 0 0999 V2000 -9.1515 2.7067 -1.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7586 2.0086 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9548 1.7145 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7665 0.7523 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8081 1.3643 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2687 -0.5940 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4710 -1.7815 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3596 -2.0930 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 -1.3705 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -1.4460 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -0.7449 0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -1.4153 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 -0.7234 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -0.7931 1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 -0.2766 2.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 -0.9586 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 -1.0252 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 -1.7179 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 -1.1248 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -0.7006 1.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1068 -1.0079 -0.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 -0.4379 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2927 -1.5722 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -1.3981 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5887 -1.1605 -0.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 -1.5049 1.8246 O 0 0 0 0 0 1 0 0 0 0 0 0 7.5451 0.7693 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 1.6496 -0.4797 N 0 0 0 0 0 4 0 0 0 0 0 0 9.3242 1.6787 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5968 1.5947 -1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0459 3.0246 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5261 2.0889 -2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7285 3.7029 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0402 3.0056 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2763 1.0626 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6687 2.6046 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4756 2.6811 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5687 1.3637 1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2943 0.7080 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7732 1.3171 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 0.8279 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 2.4598 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0964 -0.8357 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 -0.4671 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1979 -2.7204 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 -2.0625 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 -3.1942 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6596 -2.0886 -1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 -2.0710 -1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9389 -0.4501 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.9855 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3861 -2.4803 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 -0.8810 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 0.3519 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 -2.4689 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 -1.2945 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -1.0913 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 0.3906 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 -0.1744 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 -1.8292 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -0.1213 3.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.8177 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -2.0467 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -0.4774 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -1.6172 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 -0.0209 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -2.8057 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -1.6827 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 -0.2557 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 -2.0616 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 -2.3973 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 1.3305 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.4230 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4483 2.7302 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9246 1.1147 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4068 1.3712 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6404 1.6219 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5073 2.4437 -2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4386 0.6897 -2.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 3.2894 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 3.0237 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7691 3.7442 -0.1361 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 4 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 22 69 1 0 23 70 1 0 23 71 1 0 27 72 1 0 27 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 31 82 1 0 M CHG 2 26 -1 28 1 M END