HMDB0053388 RDKit 3D TG(20:2n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 2.1112 -4.6292 3.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 -5.2284 3.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 -5.2556 4.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 -4.7025 5.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -3.8869 4.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 -3.6788 2.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -2.5163 2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.2834 3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -0.6684 2.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 0.5277 2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 1.4052 2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 1.6957 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 2.8315 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 4.0919 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 5.0320 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 5.5052 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 6.3309 -1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 5.7545 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 4.6897 -2.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 6.3566 -1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 6.0621 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 4.8363 -0.5704 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3051 3.6009 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 2.7042 -1.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 1.5242 -2.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 1.3863 -2.7956 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 0.5305 -2.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 0.6870 -3.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -0.3553 -3.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9233 -0.2790 -4.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -1.3424 -3.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -1.2902 -4.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -1.5764 -6.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 -1.5227 -7.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7473 -2.5205 -7.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 -3.9063 -7.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 -4.7993 -6.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1912 -4.5263 -4.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 -5.4515 -4.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5068 -6.3315 -3.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -6.5116 -2.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0587 -7.9609 -2.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0616 -8.2422 -1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6177 -8.0496 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -8.3854 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 4.7225 0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 4.9237 1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8551 5.2540 1.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 4.7537 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 4.2874 3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 4.1067 4.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7503 3.0687 5.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 2.9428 6.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 1.9985 7.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 2.1012 8.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 2.0247 7.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 0.7319 7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5109 0.7349 6.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 0.6781 5.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 0.6011 4.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3093 -0.7004 3.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -0.9001 2.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 0.1657 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 0.2490 0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4405 1.3393 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -3.5808 3.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 -4.6696 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -5.2327 3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 -4.8044 2.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8868 -6.3184 3.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -5.8645 5.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 -4.8604 6.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -2.9901 4.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 -4.5308 4.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -4.5654 2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 -2.3847 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.6586 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -1.4630 4.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.2858 3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 0.9581 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 0.9708 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 2.3498 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 0.7985 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 2.8891 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 3.9082 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 4.5805 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 4.5713 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 5.9252 1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5265 4.6570 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 6.1324 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 7.2657 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 6.8086 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 6.1353 -2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 6.9994 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 5.1660 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 3.9189 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 3.0759 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -0.5251 -2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 0.5423 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.5160 -4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 1.7175 -3.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -1.3517 -3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 -0.3470 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.5543 -5.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 0.6933 -4.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -1.2731 -2.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4592 -2.3332 -4.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8307 -2.0234 -4.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 -0.2878 -4.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -2.5719 -6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 -0.7843 -6.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1916 -1.6878 -8.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 -0.5095 -7.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4139 -2.3707 -8.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3257 -2.2186 -6.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 -4.2399 -8.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1027 -5.8321 -6.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6335 -3.5019 -5.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5351 -4.6100 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1412 -5.4185 -5.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3969 -7.0019 -3.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6671 -5.8971 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0922 -6.4059 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9521 -8.5943 -2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5999 -8.0831 -3.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 -9.2959 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1321 -7.6133 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -6.9640 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4808 -8.7042 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 -9.4180 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 -7.6416 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9256 -8.2256 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 4.0632 3.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 5.7497 3.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 5.0559 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 3.3793 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 5.0970 5.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 3.7908 4.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7062 2.1149 4.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 3.4624 5.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 2.6974 6.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 4.0003 7.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 1.8799 8.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 0.9430 7.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 1.3565 9.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5596 3.1391 8.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 2.0499 8.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 2.9192 7.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -0.0906 7.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.6747 6.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 0.7947 7.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 0.6899 5.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 0.5363 4.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 1.4739 3.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -1.5083 4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -0.8256 3.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7784 -1.9098 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -0.9054 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 1.1526 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1596 -0.0467 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -0.6735 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 0.5250 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 1.3729 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 1.2102 -1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 2.3501 0.1107 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 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 22 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 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 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