HMDB0044064 RDKit 3D TG(16:0/16:1(9Z)/22:1(13Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.2095 2.4281 4.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 3.1599 5.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1399 3.1963 7.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 3.8711 6.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 5.2931 6.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5487 5.9010 6.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 7.2961 5.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 7.7629 4.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 6.9590 3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9005 7.0069 2.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 6.2625 1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 6.5581 0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 6.5470 1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 6.8197 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 5.7931 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7951 4.4329 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 4.2626 1.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 3.2785 -0.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 2.0184 0.0331 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1312 1.3148 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7224 1.0876 -2.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4555 1.9274 -3.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 3.1577 -2.8753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 1.5015 -4.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 1.3496 -5.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 0.9238 -6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -0.3303 -6.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -1.6427 -6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -1.8852 -5.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 -3.3511 -5.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2548 -4.2717 -5.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.9691 -3.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 -4.9103 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -4.6356 -2.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0664 -5.5173 -2.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2029 -5.1612 -2.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6032 -3.7653 -2.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -3.2390 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 -3.7275 -1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8882 -3.6299 -2.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8724 -4.3866 -3.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 -5.8865 -3.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 -6.5922 -4.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 -8.1071 -4.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 1.1194 -0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 1.7288 0.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 1.1098 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 0.0159 -0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 1.7072 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 0.9063 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -0.4380 1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 -0.3601 2.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 -1.7658 3.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -1.7437 5.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -1.1586 5.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -1.9613 4.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 -1.3500 5.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 -2.1218 4.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -2.2064 3.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 -3.0021 2.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 -3.1492 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 -3.8707 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 -5.2457 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 2.3997 4.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 2.9471 3.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6622 1.4072 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 4.1809 5.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8965 2.6370 6.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0099 2.1374 7.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 3.7712 7.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 3.3604 6.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3358 3.8139 7.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 5.3450 5.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 5.9121 7.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 5.9363 7.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 5.2379 5.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 8.0056 6.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 8.8292 4.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 7.3832 3.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 5.9484 4.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9315 6.5445 2.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 8.0681 2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 6.2656 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 5.1449 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 5.7547 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 7.4935 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 7.4916 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 5.6964 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 6.8692 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 7.8054 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 6.0869 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7592 5.8938 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 2.0831 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 2.0274 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 0.3989 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 0.5867 -4.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 2.2871 -4.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9465 0.7860 -5.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 2.4072 -5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 1.7950 -7.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 0.8820 -7.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 -0.3243 -7.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.2371 -6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 -1.8159 -7.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -2.4191 -6.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -1.3557 -5.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -1.5810 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -3.4396 -4.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 -3.6637 -5.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -4.3165 -6.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6574 -5.2959 -4.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 -4.1146 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.9186 -3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 -5.9623 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 -4.7011 -4.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -3.5702 -2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 -5.0005 -1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -6.6177 -2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 -6.0016 -2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 -3.0901 -2.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 -3.5704 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 -2.1148 -2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 -3.1755 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1261 -3.1198 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -4.7709 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9477 -2.5256 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8561 -3.7726 -1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8969 -4.1807 -4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 -4.0182 -4.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -6.2904 -2.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9105 -6.0889 -3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -6.3319 -5.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -6.3209 -5.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8907 -8.3130 -3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7427 -8.5753 -5.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9057 -8.5583 -4.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 0.1918 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6506 0.8597 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.8142 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 2.7648 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.8791 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 1.5147 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -1.0154 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -1.0446 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 0.1631 3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 0.1673 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -2.1898 3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0912 -2.4184 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -1.2371 5.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -2.8035 5.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 -1.2735 6.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -0.0733 5.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -2.9835 5.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 -1.9601 3.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -0.2907 5.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 -1.4092 6.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.5417 5.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -3.1074 5.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 -2.6989 3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -1.2045 2.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 -2.4843 3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 -4.0060 3.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 -2.1756 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 -3.8001 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -3.9528 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -3.3202 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -5.1906 2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 -5.6506 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 -5.9375 0.8621 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 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 19 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 19 93 1 1 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END