HMDB0052526 RDKit 3D TG(18:2(9Z,12Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -5.3838 3.0113 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1386 2.0408 2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6022 2.1781 2.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4165 1.2334 3.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9841 -0.1375 3.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5994 -1.1633 2.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0131 -2.0295 2.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5474 -2.0586 1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -3.3671 2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2982 -4.0619 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 -3.5748 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 -3.3835 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 -3.9585 -1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -4.8506 -2.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 -6.2435 -2.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 -6.4683 -2.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -6.1950 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 -7.1469 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -6.8468 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 -5.5284 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 -5.0855 1.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 -4.7671 2.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -3.5460 2.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 -2.6583 3.5113 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2763 -1.4022 3.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -0.5079 4.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 0.7445 5.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.1504 4.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 1.5451 5.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8677 2.9365 5.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 3.0120 3.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 4.4359 3.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 4.6035 2.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 4.0128 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4455 4.2887 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 3.6823 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 2.7504 -2.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.1923 -1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 2.4688 -3.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 1.5495 -4.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 0.1321 -3.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2338 -0.4839 -3.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -1.9516 -3.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 -2.5114 -2.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4174 -3.9898 -2.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -2.1824 2.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -2.2233 2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -2.7960 3.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3048 -1.5390 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -1.0720 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -2.1622 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -1.6873 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.9247 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 -0.4380 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 0.5550 -2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 0.8381 -3.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 1.9656 -3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 3.2019 -3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 4.2974 -4.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 4.6608 -4.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 5.1385 -4.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2412 5.5231 -5.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 5.9902 -4.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 2.5040 4.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3738 3.1421 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 3.9956 3.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8299 2.2936 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7469 1.0490 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 3.1935 2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4822 1.5005 3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 -0.3026 4.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.1545 3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6997 -1.2096 2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5744 -2.7541 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2333 -1.6440 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0565 -1.3042 2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1603 -3.7216 3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 -5.0162 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -2.7847 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3576 -4.4776 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0607 -2.7125 0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -3.6886 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -4.9331 -2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -4.3934 -3.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 -6.8168 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 -6.7070 -3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -7.4961 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -5.7940 -3.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2786 -5.1823 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 -6.5702 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -8.1640 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -7.0504 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 -7.6557 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -6.7194 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -3.8274 3.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 -3.0651 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -3.1491 4.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 -1.7695 4.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -0.9239 2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 1.6398 6.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 1.0018 5.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 3.4892 5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 3.4321 6.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 2.4352 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 2.5292 3.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 4.9117 3.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2795 5.0141 4.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 4.1027 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 5.6774 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 4.5087 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 2.9344 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 4.1353 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 5.4258 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 3.9910 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 2.3526 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 1.1155 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 2.6449 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4952 3.4987 -3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 1.8290 -4.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 -0.3726 -4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.2018 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7388 -0.4295 -4.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 0.0542 -2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -2.5141 -4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -2.1441 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 -1.9518 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0905 -2.3586 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5804 -4.4744 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3642 -4.5246 -2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -4.0344 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 -0.7105 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 -2.3551 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -0.3399 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 -0.4517 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -2.7288 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 -2.8857 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 -0.9305 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 -2.5010 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0446 -0.0245 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -1.6454 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -1.2710 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.0896 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 0.0166 -3.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 1.4333 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3599 -0.0555 -4.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 2.0568 -4.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 3.0796 -2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 3.5556 -2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 5.2040 -3.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 3.9536 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 3.8023 -5.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 5.4796 -5.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 4.2798 -3.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 6.0042 -3.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 6.3892 -5.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 4.6715 -5.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4644 7.0893 -4.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3634 5.5835 -3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3673 5.6550 -4.8801 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 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END