HMDB0240904 RDKit 3D 8-methylnonadecanoylcarnitine 85 84 0 0 0 0 0 0 0 0999 V2000 12.7128 0.1262 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5811 -0.7810 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 -0.3712 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -1.3242 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.0791 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 0.2788 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 0.3048 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 1.6010 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 1.8534 0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 1.0738 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 -0.4045 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4062 -1.0232 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -0.5950 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -0.7889 1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 -1.3205 0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -0.7789 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 0.7103 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 1.1599 -1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 0.4650 -1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 0.7068 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7543 1.5155 0.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2597 0.0602 -0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 0.3432 0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3304 -0.8743 1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -0.6532 2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6369 0.4508 3.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5028 -1.7596 3.5257 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.3905 0.9939 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1594 0.2215 -0.7178 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.9392 1.2106 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1674 -0.6165 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4102 -0.5078 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 -0.4782 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8173 0.9300 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4985 0.5402 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4728 -0.8405 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8319 -1.8089 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4624 -0.3941 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 0.6563 -0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1665 -1.2342 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -2.3586 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 -1.8380 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9158 -1.2512 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1117 0.4034 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8928 1.1215 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1592 0.1942 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 -0.5953 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9355 2.4162 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 1.8204 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 2.9521 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 1.7617 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 1.5047 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6141 1.4021 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 -0.8513 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -0.7618 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -2.1458 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 0.3116 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -0.3428 -1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 -1.4164 -2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 0.2913 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 -1.3113 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6013 -1.2821 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 -2.4280 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -1.0749 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -1.2512 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6337 0.9282 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 1.3112 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 2.2571 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 1.1276 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 -0.6440 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5275 0.8227 -2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6032 1.0948 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3057 -1.1883 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -1.7480 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 1.3889 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0195 1.9119 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1682 1.8096 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6166 0.7207 -2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4121 1.9046 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1322 -0.6068 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4051 -0.1787 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8863 -1.6819 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7165 0.1778 -2.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9378 -1.4303 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1484 -0.8162 -2.4887 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 12 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 28 75 1 0 28 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 32 83 1 0 32 84 1 0 32 85 1 0 M CHG 2 27 -1 29 1 M END