HMDB0240914 RDKit 3D 19-Methylicosanoylcarnitine 88 87 0 0 0 0 0 0 0 0999 V2000 8.6397 -2.3866 -1.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8651 -1.6557 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8125 -1.6592 -2.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 -0.2803 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 0.7554 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6812 0.5654 -1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7796 0.5599 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8749 1.8557 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 2.0209 1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 2.0285 1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 0.8506 0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 0.9415 1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 0.9780 2.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 1.1973 2.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 0.2723 2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 0.1789 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8584 -0.8417 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -0.4291 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.9118 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 1.0893 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 0.1353 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 -0.8690 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3885 0.3422 -0.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4056 -0.5563 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7828 -1.2811 0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2238 -0.2975 1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7375 -0.6986 2.7254 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1466 1.0782 1.4928 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.5839 0.0991 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6518 -0.7636 -1.7280 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.2233 -1.9878 -2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3130 0.0094 -2.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6713 -1.0165 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -3.4875 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -2.1503 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5195 -2.3592 -2.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3738 -2.2603 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1773 -2.6980 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2152 -1.3618 -3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6393 -0.9694 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7996 0.0722 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 -0.3537 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2717 1.7869 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 0.8098 -2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3496 1.4726 -2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4535 -0.2837 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 0.2593 -0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 -0.2344 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 1.9788 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 2.7180 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 3.0344 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 1.2520 2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 2.9543 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 2.3548 2.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 0.8805 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -0.1169 1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9497 1.6584 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -0.0991 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -0.0584 3.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 1.6332 3.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 2.2266 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 1.3544 4.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -0.8074 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 0.4799 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 1.1403 0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.1693 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 -0.9186 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -1.8097 1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 -0.5039 2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 -1.2131 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 1.7486 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5525 1.0835 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3954 2.1190 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 1.0007 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -1.3322 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 -1.6686 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4776 -2.1127 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2064 0.6908 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0251 0.8234 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 -1.8771 -2.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9302 -2.2149 -3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2619 -2.8723 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2261 -0.5845 -3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6451 0.1747 -3.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7165 0.9280 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6830 -0.8841 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7050 -2.0890 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6538 -0.2920 0.0728 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 29 78 1 0 29 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 33 86 1 0 33 87 1 0 33 88 1 0 M CHG 2 28 -1 30 1 M END