HMDB0240891 RDKit 3D 16-Methyloctadecanoylcarnitine 82 81 0 0 0 0 0 0 0 0999 V2000 8.5457 2.1860 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1849 0.9178 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4503 -0.3168 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3793 -0.4383 -2.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 -0.3863 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0985 -0.3477 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8097 -0.3932 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 -1.5471 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 -1.9845 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5342 -1.0477 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -0.4119 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 0.5236 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.0803 1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 1.8083 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 2.3903 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 1.3165 1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 0.2967 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -0.7407 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4227 -0.0894 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 0.5103 2.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4723 -0.1008 0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7382 0.5239 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9656 1.6820 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2244 2.3670 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9535 2.0748 0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6794 3.4173 -1.1340 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.8132 -0.4863 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0564 -1.3409 -0.6748 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.1921 -0.7794 -1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -2.4396 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3534 -1.9971 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 2.6215 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4887 2.1005 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6612 2.9362 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4307 0.9299 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1879 0.8572 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -1.2049 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2137 0.5451 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 -0.8591 -2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 -1.1702 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -1.3331 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 0.4348 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 0.5169 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7115 -1.2471 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2194 0.5714 1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -0.2332 2.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5992 -2.4748 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1485 -1.5223 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -2.8823 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0251 -2.6195 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 -0.2194 -0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 -1.6172 -1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 -1.1961 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 0.0930 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 0.1035 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 1.4381 0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 1.6735 2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 0.1823 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 1.2033 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 2.6745 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 3.1517 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 2.8355 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 0.8830 2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 1.8684 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -0.1731 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 0.7783 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2798 -1.5516 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6941 -1.1705 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 0.9658 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1594 2.4804 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8363 1.4199 -1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4667 -1.1973 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -0.0848 0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8121 0.1096 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2466 -0.7154 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -1.5349 -2.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6899 -2.5354 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5743 -3.4199 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2949 -2.3027 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6171 -2.5415 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2722 -2.6394 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0944 -1.1758 -0.2817 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 3 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 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 4 38 1 0 4 39 1 0 4 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