HMDB0043310 RDKit 3D TG(15:0/20:3(5Z,8Z,11Z)/18:0) 164163 0 0 0 0 0 0 0 0999 V2000 -1.7695 0.2256 -3.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 -0.4719 -3.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8897 0.3580 -4.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 0.5564 -5.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 1.3586 -6.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 2.7822 -6.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 3.6187 -5.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6605 3.9277 -4.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 4.7348 -3.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 4.4410 -2.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0175 3.2164 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 3.7798 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 3.5728 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 2.7013 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 1.5879 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 1.3747 3.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3795 2.2272 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 3.1169 4.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 2.7052 6.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 2.1294 6.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 2.1593 7.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 1.5450 5.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 1.0611 5.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5000 -0.5224 6.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -0.9103 4.7518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -2.1408 4.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -3.1140 5.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 -2.4089 2.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 -2.5145 2.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -2.8372 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3953 -2.9577 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.3769 -1.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -3.5903 -2.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 -2.5793 -3.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -1.6502 -2.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -0.8723 -2.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 0.1540 -2.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 1.2928 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 1.9827 -2.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 3.1402 -2.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 2.8285 -1.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 1.1610 4.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 2.2141 4.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 3.4219 4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 4.1838 5.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 3.9377 2.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 2.9052 1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 2.7114 2.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 2.4814 3.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 2.2538 3.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 0.9162 3.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 -0.1970 4.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -1.5316 3.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.9133 2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 -3.3034 2.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5338 -3.8245 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 -5.1763 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -5.8776 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -6.2156 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -6.9607 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 -7.3750 -1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -8.2928 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 -0.3924 -3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 1.2217 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 0.3990 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 -0.5048 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 -1.4700 -3.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -0.2730 -4.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 1.2537 -4.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 1.0276 -5.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -0.4709 -6.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 1.0297 -7.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 0.8626 -6.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7958 2.9877 -7.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 3.3078 -7.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 4.5834 -6.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5287 3.1019 -5.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 3.0738 -4.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 4.6250 -5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 5.6744 -4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 5.1158 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 2.6879 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 2.5717 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3616 4.4184 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 4.0305 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2078 2.4191 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 3.4053 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2328 0.9132 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9823 0.5063 3.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1949 1.4699 4.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0856 2.7580 3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1409 3.6433 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5185 4.0435 4.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4222 2.0850 6.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 3.6521 6.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 1.2875 6.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3044 -0.6870 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -0.9816 6.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -3.3277 2.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -1.5122 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -1.5475 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -3.3005 2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -2.0335 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 -3.7809 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -3.8008 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -2.0742 -0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3677 -2.6187 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 -4.2886 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.1997 -3.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1086 -4.4330 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -3.1198 -3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -1.9879 -3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -0.8761 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 -2.2021 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 -1.6349 -3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -0.4226 -3.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 0.6322 -2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -0.2823 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 2.0511 -1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 0.9025 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 2.3037 -3.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 1.2600 -3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1374 3.9097 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 3.6420 -3.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 2.8357 -2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4305 1.8690 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 3.6487 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7654 0.5402 5.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.3506 4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 4.8513 2.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 4.1686 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 3.1822 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 1.9503 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 3.6228 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 1.9025 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 3.4439 4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7000 4.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 3.0468 3.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 2.3498 5.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 0.7838 2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 0.8832 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -0.0019 5.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -0.1414 4.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 -2.2976 4.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3239 -1.6216 3.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -1.9588 2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 -1.1622 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 -3.1673 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -4.0060 2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 -3.1259 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -3.9135 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 -5.8164 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 -4.9847 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -5.2787 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 -6.8578 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 -5.3360 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0804 -6.9428 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 -7.8762 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -6.2940 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 -6.5603 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 -7.9550 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -7.6698 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -8.9334 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 -8.9614 -0.2347 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 1 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 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 2 0 26 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 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 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 62164 1 0 M END