HMDB0045122 RDKit 3D TG(18:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 6.7148 -0.1326 3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -0.8505 2.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.2183 2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 -2.4371 3.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0758 -3.5860 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -4.4289 3.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -5.6534 4.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -6.5165 2.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 -7.6571 2.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -8.0531 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 -7.6165 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7215 -7.2130 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8853 -6.1201 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 -5.1271 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -3.6839 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 -2.8859 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 -1.4133 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 -0.8789 -2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 0.5479 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 1.0630 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 0.3082 0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 2.3849 -0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 2.8210 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 4.2151 0.8819 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3529 4.4830 2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 3.4372 2.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 3.4344 3.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 4.4534 4.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 2.4819 4.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0873 1.7158 5.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 0.8377 5.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -0.4134 4.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 -0.6583 3.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 -0.0041 2.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.4994 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5456 -0.2983 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 -0.7779 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9354 -0.7307 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5211 -1.7060 1.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -2.1841 3.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -3.0654 3.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1197 -4.3164 2.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -5.2701 2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7968 -4.6098 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -5.5029 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 4.2633 0.0545 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 5.2312 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 5.9889 -1.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 5.4608 -1.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 6.5022 -1.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 6.2620 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 5.0410 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 5.1566 -1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 4.3077 -2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3902 3.1279 -2.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 1.8800 -2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 1.0375 -3.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.1405 -4.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 1.1932 -5.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5959 2.1645 -6.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7413 3.3352 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 4.5625 -6.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 5.8535 -6.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 5.9959 -5.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 7.3695 -5.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 0.5909 4.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 -0.8540 4.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 0.4103 3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 -0.0197 1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5838 -1.5651 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -0.3843 3.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -2.7192 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 -3.3128 2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 -4.0729 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 -3.8803 4.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 -6.1136 5.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -5.9009 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -6.9569 3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -8.2173 3.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 -8.9711 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 -6.7446 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 -8.4730 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6041 -7.9070 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9238 -5.9623 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9075 -5.0349 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -5.3902 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1393 -3.3996 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 -3.6677 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 -3.0084 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0988 -3.3085 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -0.8772 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -1.3171 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 -1.0926 -3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 -1.5510 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 1.1174 -2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 0.9279 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 2.8675 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 2.1317 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 4.9500 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 4.5131 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 5.4693 2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7455 3.0244 5.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 1.8430 3.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 1.2319 6.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 2.5309 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 1.5076 4.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 0.6024 5.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 -1.1920 5.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -0.8720 4.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.5449 3.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -1.7854 3.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 1.0682 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 -0.1543 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -1.5963 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.0572 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 -0.4941 2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 0.8796 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 -1.7792 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -0.1032 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 -0.7299 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 0.3376 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8708 -2.6183 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 -1.3209 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6935 -1.2585 3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 -2.6115 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -3.4522 4.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8827 -2.6075 2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 -4.7894 2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -4.0580 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 -6.1569 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 -5.6234 3.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 -3.7420 2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.2785 0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 -5.0978 1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 -5.5309 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -6.5564 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 5.8928 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8469 4.4826 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 6.7581 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 7.4613 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 7.1910 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 6.1613 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 5.1707 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 4.1155 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7647 6.0448 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0262 4.4249 -3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 3.0321 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 3.2100 -3.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8237 1.6523 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9048 0.1270 -3.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 1.8793 -4.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 0.0849 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1977 0.3508 -5.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3785 2.1636 -7.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 3.5025 -7.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 3.4172 -5.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 4.5911 -7.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 4.4899 -5.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 6.6580 -6.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 5.9564 -7.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2829 5.9293 -4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 5.1979 -5.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 7.6335 -6.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 8.1298 -5.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 7.3968 -5.0718 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 2 0 13 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 2 0 20 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 2 0 27 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 1 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 44 45 1 0 24 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 2 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 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END