HMDB0042891 RDKit 3D TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) 171170 0 0 0 0 0 0 0 0999 V2000 1.7010 -0.8023 -8.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -1.3163 -6.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -0.9825 -5.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.8633 -4.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -3.3329 -5.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 -3.7708 -3.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 -4.7282 -3.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 -5.5196 -3.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -6.9252 -3.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 -7.8806 -2.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -7.7664 -1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9001 -8.7808 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -9.8342 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -10.0868 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -10.3285 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -9.6271 1.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 -8.3292 2.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -7.3804 2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -5.9730 2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9515 -5.6037 3.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 -4.1252 4.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 -3.2917 3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 -2.0544 3.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -3.5681 1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1322 -2.6015 0.7985 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9118 -2.9964 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 -1.9494 -1.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4607 -1.9656 -2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 -2.9517 -2.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -0.7636 -3.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 0.3271 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 1.5397 -3.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7542 2.1343 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 3.3628 -4.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 3.1223 -6.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 4.4331 -6.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 5.5107 -6.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 5.1053 -5.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2118 6.1022 -4.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 6.7204 -3.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 7.4162 -3.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 7.2690 -2.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 6.3187 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 5.4324 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 5.4196 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 6.2371 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 5.3793 1.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 6.3270 3.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 5.5029 4.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 4.6547 4.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 -2.3138 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -1.5782 1.3792 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.3756 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -1.9280 0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.5689 1.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 -0.8300 1.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -2.1846 2.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 -2.2221 3.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 -1.1071 4.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 -1.1291 6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 -0.0184 7.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 1.2999 6.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 2.4162 7.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 3.7640 6.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0344 4.8422 7.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 6.2169 6.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 6.4586 6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -0.6451 -7.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -1.5903 -8.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 0.1744 -8.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 -2.3011 -6.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -0.6435 -6.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 0.1189 -5.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -1.5943 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -3.7488 -5.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -3.5675 -6.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 -3.2645 -3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -5.0052 -2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 -5.1270 -4.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 -5.4205 -2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 -7.0921 -4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 -8.9137 -3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -7.8569 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 -6.8109 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 -8.6449 -3.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -10.5253 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 -11.1155 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -9.3829 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 -11.2574 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -9.9212 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 -8.0973 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -8.5466 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6262 -7.8254 3.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 -7.5207 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -5.4161 2.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -5.4809 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 -5.8035 3.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -6.1058 4.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -3.8661 4.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -3.8841 4.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -1.6107 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3903 -3.8693 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 -3.1743 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -0.4255 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 -1.0309 -4.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 0.5806 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 -0.0790 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 2.3097 -3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7805 1.2741 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2478 2.4617 -3.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 1.4063 -4.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 3.9271 -5.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 4.0473 -4.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 2.3429 -6.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 2.7588 -5.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 4.7493 -7.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 4.1746 -7.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 6.4119 -6.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 5.7985 -5.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 4.1280 -5.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 4.8012 -6.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 6.9558 -5.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 5.6074 -4.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 6.0742 -2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 7.5720 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 8.1682 -4.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2829 7.8939 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 5.6095 -1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1079 6.9274 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 4.7700 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 4.7386 -0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 6.9839 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1135 6.7417 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 4.7139 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 4.7737 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 6.9535 3.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 6.9782 2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3181 6.2099 5.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 4.8580 4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 3.7394 3.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8437 4.4367 5.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 5.2680 3.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 -1.7733 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 -3.2587 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0163 0.5169 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -0.6398 3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 -0.9219 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 -0.0480 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 -2.2575 2.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -3.0199 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 -2.2034 4.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -3.1742 4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 -0.1163 4.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3929 -1.2376 4.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 -2.0900 6.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.0573 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 -0.1497 7.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 -0.1094 8.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5831 1.4007 5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 1.5090 6.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 2.3451 8.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8305 2.2762 7.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 3.8476 6.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 3.7180 5.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1304 4.6646 7.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 4.8160 8.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 6.9529 7.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 6.3367 5.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 6.2872 7.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.5108 6.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 5.7930 6.0386 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 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 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 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 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 67171 1 0 M END