HMDB0053168 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:2n6) 163162 0 0 0 0 0 0 0 0999 V2000 -10.9521 4.8928 -2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8001 4.6135 -1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5714 5.0090 -2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5708 4.1950 -2.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5359 2.7648 -2.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 2.4579 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4786 1.6020 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 0.8826 -2.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5937 -0.5639 -2.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -1.4363 -3.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -1.1372 -3.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6673 -1.8891 -5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -1.6354 -6.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 -2.1140 -5.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -1.7768 -6.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 -2.2190 -6.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 -1.6896 -4.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 -2.1974 -4.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -2.8702 -5.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 -1.9842 -3.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 -2.5044 -3.2629 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2207 -1.3945 -2.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -0.8269 -1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 0.1929 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 0.6922 -1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 0.6921 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 1.9212 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 2.2613 1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 3.5073 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 3.7786 3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 3.7756 3.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 3.4930 2.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 4.6449 3.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 4.4290 3.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 3.1196 3.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 2.9230 2.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 2.7445 3.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8925 2.6990 4.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 1.3289 4.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1292 1.0584 6.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0855 1.1428 7.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 0.8602 8.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 -3.4601 -2.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 -4.6127 -2.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -5.3826 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -4.9456 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 -6.6454 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -6.8395 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 -8.0518 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 -8.0069 2.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 -7.1651 3.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -5.7313 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -5.0450 4.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 -3.7398 4.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -2.5646 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 -2.6432 2.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -1.8901 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -0.9359 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 0.4218 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 1.1481 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 0.6902 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8038 0.7365 -2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 2.1432 -2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6909 2.1973 -4.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0357 3.6217 -4.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7649 4.3944 -3.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8747 4.4607 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1142 5.9975 -2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0529 5.3029 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9370 3.5677 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4395 6.0537 -2.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 4.5652 -2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4309 2.5049 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6825 2.1173 -2.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3425 2.9901 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 1.4104 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5837 1.2103 -3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3192 1.1283 -3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4581 -0.8967 -1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 -2.4922 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 -1.5458 -3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 -0.0894 -4.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 -1.6425 -5.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 -2.9725 -4.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -0.5618 -6.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 -2.1823 -6.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 -3.1680 -5.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 -1.4534 -4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 -0.6969 -6.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 -2.3326 -7.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 -1.8403 -6.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 -3.3247 -6.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -1.9800 -3.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -0.5826 -4.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -2.9958 -4.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 -1.8594 -3.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -0.6124 -3.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 -0.0952 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3677 0.9567 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.8258 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 2.7690 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 1.4014 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1906 2.4151 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 3.4821 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 4.3424 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 3.9932 3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 3.9795 4.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 2.6111 3.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 3.3999 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 5.6607 2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 5.2817 3.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 3.2605 4.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 2.2502 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9247 2.9298 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 2.6092 2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 2.9818 5.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.4142 4.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 1.2229 3.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 0.5055 4.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6158 0.0579 6.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9556 1.8047 6.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 0.4340 6.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 2.1469 7.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -0.0070 8.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5161 1.7124 9.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 0.5226 8.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.9303 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 -3.7584 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -7.4584 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 -6.6635 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -5.8930 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2179 -6.9088 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 -8.2799 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 -8.9342 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 -7.7477 3.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -9.0785 3.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 -7.1465 4.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 -7.6624 3.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -5.2257 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 -5.6371 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -5.0418 5.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -5.7594 4.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 -3.8212 3.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -3.3872 5.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -1.6285 3.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 -2.5144 4.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5054 -3.3232 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -1.9536 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5084 -1.3547 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 -0.8966 2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 0.8702 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 2.1823 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1844 -0.2887 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.4037 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 0.2967 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7367 0.1068 -2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 2.7516 -2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 2.5141 -2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 1.5776 -4.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9407 1.8237 -4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 4.2302 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 3.7175 -4.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 4.0564 -5.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 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 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 6 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END