HMDB0240881 RDKit 3D 17-methyloctadecanoylcarnitine 82 81 0 0 0 0 0 0 0 0999 V2000 9.9522 -0.5077 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9033 -0.7869 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0866 -2.2544 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5757 -0.2875 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4589 1.1676 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2676 1.8125 -1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 1.5134 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 0.1063 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 0.0821 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 0.6346 1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 0.5951 1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 1.3575 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9902 1.1743 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -0.1861 -0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6291 -0.7171 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8585 0.1573 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 0.3355 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 1.2242 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 0.6430 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 0.7646 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 -0.0212 -0.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7953 -0.5693 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -2.0446 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5535 -2.9374 0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5807 -3.4698 -0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2992 -3.2738 1.8156 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0223 0.1038 -0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2605 -0.1058 0.1411 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.9041 1.2407 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2534 -0.5992 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2032 -0.8607 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 0.5067 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9748 -0.6673 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 -1.2231 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7551 -0.2456 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2862 -2.5660 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1005 -2.4598 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9486 -2.8262 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -0.9204 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6881 -0.4377 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4495 1.3382 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3687 1.7156 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 1.5895 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 2.9588 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 2.1805 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.9436 0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -0.4896 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -0.3611 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -0.9757 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4682 0.6746 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 0.0617 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 1.6772 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -0.4909 2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 0.9702 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 1.3717 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 2.4649 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 1.6591 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 1.7883 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -0.9525 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -0.0980 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -1.7087 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 -0.8624 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.4231 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7673 1.1178 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 0.8146 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -0.6560 -1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 2.2306 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 1.3565 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4775 -0.3166 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7509 -2.2473 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6106 -2.3942 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1372 -0.1411 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7841 1.2207 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1133 1.9783 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6520 1.2116 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3145 1.4691 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2419 -0.5616 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8873 0.0959 2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7717 -1.5804 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8343 -1.5356 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8523 -0.1711 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5803 -1.3747 -1.4647 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 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 3 36 1 0 3 37 1 0 3 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