HMDB0044451 RDKit 3D TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) 161160 0 0 0 0 0 0 0 0999 V2000 8.9783 2.5369 8.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9102 3.5544 7.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 3.5165 8.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 4.5101 8.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 4.1888 7.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 5.1468 6.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 4.9112 6.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 3.5082 6.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 3.2195 5.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 2.8557 5.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 2.6935 6.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 3.4629 6.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 4.4066 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 5.0346 4.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 4.9151 3.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 4.4138 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 3.8453 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4235 4.5227 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 3.8121 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2394 2.3451 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 1.7958 -1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 2.1738 -3.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 1.3345 -4.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 3.3627 -3.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 3.6812 -4.8552 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2935 4.0730 -5.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 3.0412 -4.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 3.1639 -5.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 4.2410 -5.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 1.9968 -4.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 1.0089 -5.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 -0.2223 -6.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 -1.2679 -5.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -1.8953 -4.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 -1.0112 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 -0.6759 -2.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 0.2373 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 0.0021 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 -1.2668 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -2.0253 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 -1.1729 1.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -1.9208 2.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.2235 2.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 -3.9485 3.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 4.6643 -5.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 4.0166 -5.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 4.4904 -5.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7019 5.6205 -6.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 3.6275 -5.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 2.4309 -4.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 1.4727 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1054 0.3033 -3.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1502 -0.7445 -3.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -1.8473 -2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -2.4531 -3.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6338 -3.0878 -4.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6131 -4.2510 -4.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 -5.3057 -3.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7309 -5.8352 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -6.8643 -2.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -6.2647 -1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2395 -7.2416 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -7.7812 -1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 1.5324 8.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8617 2.6161 7.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 2.7759 9.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5571 3.2706 6.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 4.5589 7.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 2.4961 8.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 3.6417 9.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1106 5.5492 8.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 4.4069 9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 3.1385 7.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9874 4.4490 6.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 6.2071 6.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 5.7296 6.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 2.7643 6.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 3.5043 7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 3.3080 4.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 2.6443 4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.5685 6.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0239 2.5891 7.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 3.1233 7.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1697 4.8298 5.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 4.8507 4.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5975 6.1731 4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 5.3240 3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9911 4.3407 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 2.8046 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 4.1230 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 5.5852 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 4.3744 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 2.0167 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 1.7952 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2691 2.0139 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 0.6565 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 2.7578 -5.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 4.3514 -6.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 5.0230 -4.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 2.4259 -4.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 1.7023 -3.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 0.8438 -6.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 1.6056 -6.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 0.0172 -6.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -0.7439 -7.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 -0.9445 -4.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 -2.1322 -5.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -2.2097 -5.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -2.8286 -3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -0.0901 -4.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -1.6232 -3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 -0.2278 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -1.6470 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 1.2227 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1641 0.7709 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -1.8793 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 -0.9430 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 -2.2575 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1824 -2.9311 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -0.2670 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -0.8414 2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -2.1331 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -1.3173 2.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -3.0846 3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -3.9103 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -3.9898 2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 -5.0017 3.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 -3.4691 4.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 4.9193 -6.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 5.5609 -4.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 4.2311 -4.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3192 3.3848 -6.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 2.7059 -3.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 1.8956 -5.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9727 1.0583 -5.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 1.9573 -3.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 0.6841 -2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2089 -0.1359 -4.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5793 -1.2101 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0001 -0.2593 -2.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3726 -2.6044 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 -1.3809 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 -1.6983 -3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9377 -3.2324 -2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -2.3486 -5.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -3.3584 -4.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5332 -3.8723 -3.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8124 -4.6285 -5.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7664 -6.1601 -3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -4.9252 -2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 -4.9518 -3.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 -6.2590 -4.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8915 -7.6730 -2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 -7.3584 -3.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 -5.3600 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 -5.9198 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9526 -8.0115 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -6.6529 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 -7.8173 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -7.1782 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 -8.8377 -1.3627 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 28 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 1 0 36 37 1 0 37 38 2 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 25 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 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END