HMDB0000712 RDKit 3D Hexadecanedioic acid mono-L-carnitine ester 73 72 0 0 0 0 0 0 0 0999 V2000 -7.8260 -1.3966 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0378 -0.6971 0.5802 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9314 -0.6006 1.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 -1.5574 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6553 0.6263 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 0.9423 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 0.8334 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 -0.4841 -2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5697 -0.6607 -3.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6564 -1.5550 -2.3230 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2460 0.4118 0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2751 1.1840 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 2.4298 0.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 0.5739 1.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 0.2286 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 1.4693 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 1.4966 -1.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 1.0304 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 -0.4021 -1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -0.9577 -1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 -0.6142 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 0.7911 -0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6761 1.0781 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9385 0.7050 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.6979 1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 -1.4258 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5448 -0.8146 1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0055 -0.7672 2.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3554 -1.2493 3.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 -0.1676 2.8454 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3587 -0.7173 -1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2393 -2.1921 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6769 -1.9818 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9904 -0.5032 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6972 0.3160 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7692 -1.4577 2.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 -2.1176 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4352 -2.3548 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2517 -1.0510 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6829 1.2013 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 1.1033 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 2.1022 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 1.6263 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 1.1269 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -0.3615 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 1.3295 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 -0.1567 0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -0.5684 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.2516 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 1.9802 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 2.5788 -2.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 0.9586 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5073 1.1859 -3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 1.7526 -1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 -0.6578 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 -0.9887 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -0.8009 -3.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -2.1109 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -1.0218 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 -1.2811 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6092 1.2952 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3353 1.3869 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 0.7610 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 2.2163 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 1.1393 1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8591 1.2962 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -1.2839 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.6657 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 -2.4575 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9471 -1.5294 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5101 0.2197 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3242 -1.3376 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8937 0.0171 2.1028 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 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 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 30 73 1 0 M CHG 2 2 1 10 -1 M END