HMDB0253127 RDKit 3D Hexadecenoylcarnitine 71 70 0 0 0 0 0 0 0 0999 V2000 10.3745 1.0955 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5016 1.7562 0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 0.7492 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 0.3943 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 -0.5920 1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -0.0258 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -1.1127 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 -0.5890 -1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 -1.5918 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -1.9719 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -0.8217 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 -0.1143 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 -0.9862 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -0.2630 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -0.0805 -1.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 -0.5487 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7574 -1.2049 0.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6611 -0.2476 -0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 0.4688 -1.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2595 -1.6052 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7258 -1.7078 -0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3177 -2.1075 0.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5221 -1.3796 -1.8359 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7854 0.5393 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 1.2522 0.8551 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.7016 1.7829 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5003 2.4821 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8888 0.6399 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 1.2101 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3737 1.5681 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5176 0.0085 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0695 1.9322 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 2.6663 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8436 -0.1274 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 1.2326 -0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 1.3423 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1986 0.0979 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 -0.8752 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 -1.5408 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 0.8672 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0877 0.1655 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -2.0145 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -1.2251 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 0.3169 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 -0.2842 -2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 -1.0786 -2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -2.4893 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -2.3833 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -2.8360 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 -0.1091 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -1.2231 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 0.7516 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.2952 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -1.8552 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 -1.3917 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 0.1665 -2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 0.5128 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8798 -0.2174 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 -2.1364 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8014 -2.3056 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 1.2821 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5644 -0.1372 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4411 1.0625 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 2.2573 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3125 2.6398 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2702 2.1076 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5715 2.8540 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3167 3.1952 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -0.2483 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1463 1.3554 2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8580 0.3812 1.2779 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 13 14 1 0 14 15 2 3 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 18 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 24 61 1 0 24 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 M CHG 2 23 -1 25 1 M END