HMDB0052541 RDKit 3D TG(18:2(9Z,12Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.2414 -7.6650 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -6.6279 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -7.3090 2.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -6.9964 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 -5.9449 1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 -6.6569 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 -6.3799 1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -5.3416 2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -6.1043 3.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 -5.9454 3.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 -4.9182 2.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 -3.9914 3.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 -2.7165 3.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 -1.9583 2.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -1.3043 3.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -0.4566 2.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.1763 2.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 1.1124 2.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 0.4381 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 1.4502 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 1.5160 -0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 2.2826 -0.9636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 3.2817 -1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 4.2189 -0.9106 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7203 5.5296 -1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 6.3222 -0.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 7.5824 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 8.1554 -2.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 8.2353 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4309 7.0922 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 7.5198 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0194 6.3237 2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8406 5.6114 1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5646 4.4572 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3838 3.7054 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1244 2.6092 1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0309 1.3508 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2138 0.6531 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3294 1.2938 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 1.1815 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 0.3473 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4443 -0.7082 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 -1.6694 -1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 -2.6600 -1.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -3.4364 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 4.6419 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 4.6291 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 4.2592 1.8245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 5.0562 2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6058 5.1679 1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 6.2640 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 6.0980 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 4.8744 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3478 4.6807 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 3.4863 -2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 3.1952 -3.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3678 2.0788 -4.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.8538 -3.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -0.3555 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -0.7080 -4.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 -1.7112 -5.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 -2.9493 -4.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 -3.7379 -3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -4.9433 -3.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -5.8481 -2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -8.5446 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0312 -7.2427 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 -7.9930 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -5.7406 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 -6.3783 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2575 -8.1014 2.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 -7.5714 3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 -5.5199 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 -5.1976 2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 -7.4168 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 -6.9027 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -4.7195 2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -4.6593 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 -6.9115 3.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5224 -6.5883 4.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -5.4585 2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 -4.3703 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 -4.4459 4.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5482 -2.1249 4.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9693 -1.0664 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 -2.4692 1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -0.7092 4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -2.1086 3.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.3708 2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 -1.0397 1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -0.6752 3.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 0.6911 3.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 1.4922 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 2.0152 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 0.1533 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -0.4008 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 2.7316 -2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 3.8079 -2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 3.7658 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7317 5.9779 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2413 5.3209 -2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 8.9626 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 8.7760 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 6.3415 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1111 6.6881 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0602 8.2620 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 7.9403 2.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3358 5.6274 3.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7047 6.7373 3.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 5.1825 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6076 6.2603 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8705 3.7093 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 4.7904 3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0941 4.5005 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6474 3.4678 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8798 2.9046 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7257 0.6993 2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6079 -0.1460 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9258 -0.0817 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7663 1.9378 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 1.7506 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 1.0172 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6908 -0.1491 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 -0.1237 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -1.2835 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9412 -1.1135 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9765 -2.2040 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -2.1039 -2.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0973 -3.3342 -2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -3.3102 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -3.2454 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6877 -4.5331 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 6.0262 2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 4.2265 3.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4683 5.1521 2.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 4.1896 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 7.2323 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 6.3698 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 5.9589 0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 6.9856 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 3.9510 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 5.1096 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 4.4382 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 5.5913 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 2.6393 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 3.8065 -3.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2678 2.9276 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 4.0953 -3.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7471 2.4751 -5.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 1.9431 -4.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 0.9313 -3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 -1.1825 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1761 0.1451 -4.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 -1.2219 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -1.9965 -5.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9681 -1.2511 -6.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -2.7868 -4.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.6338 -5.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4145 -3.1665 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 -4.0885 -4.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 -5.4674 -4.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4857 -4.4935 -3.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5697 -6.6534 -2.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -6.3750 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5559 -5.3600 -1.7791 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 2 0 37 38 1 0 38 39 1 0 39 40 2 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 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 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 1 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 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 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 56148 1 0 57149 1 0 57150 1 0 58151 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 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END