HMDB0048980 RDKit 3D TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -11.5845 5.2915 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2455 4.7420 2.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1458 5.1018 1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 4.2368 1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5973 2.7695 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3843 2.1233 2.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7625 1.1652 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 0.6018 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4366 -0.8904 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 -1.7203 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8143 -1.4203 -1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4234 -1.9041 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -1.1236 -3.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4143 0.3199 -3.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6293 0.5101 -5.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2608 1.9034 -5.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 2.5495 -4.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8613 1.8951 -5.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 2.4702 -4.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 1.8619 -4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 1.2550 -5.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 1.8628 -4.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 1.2377 -4.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 1.0804 -3.9828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0748 0.0186 -2.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 0.6373 -1.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -0.0824 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.2646 -0.6116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 0.4659 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 1.9698 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 2.4835 1.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 2.2105 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 2.9697 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5698 2.7521 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0261 1.4451 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 0.2498 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 -0.8111 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 -0.8890 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 -2.0031 -2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 -3.3331 -1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 -3.6530 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -5.0480 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -5.4974 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 2.1613 -3.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 2.3992 -3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 1.5952 -4.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 3.4926 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7097 2.9774 -1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7497 2.5058 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5907 2.0031 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 1.5543 1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 1.0529 2.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 0.6587 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.5565 4.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 -1.7300 3.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 -2.9808 3.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -3.3419 3.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 -2.4784 4.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 -2.4269 2.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -2.8281 3.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -3.3779 4.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -3.5441 5.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 -4.7176 6.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 -6.0082 5.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -6.8100 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7747 4.9541 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5936 6.3983 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4084 4.9100 2.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1001 5.2715 3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3999 3.7096 3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9504 6.1878 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5958 4.5961 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4060 2.5435 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8461 2.4210 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 2.5008 3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8748 0.7531 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1788 0.9805 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4365 0.7707 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1163 -1.2214 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0137 -2.7917 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5587 -0.3903 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8499 -1.9905 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6521 -2.9574 -2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1284 -1.5810 -4.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7886 0.7599 -3.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4041 0.8376 -4.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -0.0831 -5.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1786 0.0245 -6.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1738 2.5616 -5.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 1.9768 -6.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 3.6126 -5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 2.5355 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 0.8399 -4.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 1.8366 -6.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 2.4794 -3.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 3.5572 -4.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 1.8349 -5.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.2386 -5.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 0.5646 -4.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.2671 -2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.8297 -3.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 0.0612 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 0.1559 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 2.5102 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 2.1839 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 1.9911 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 3.5734 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 2.6622 2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 1.1615 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 4.0669 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 2.5737 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 3.5817 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 3.0010 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1908 1.5925 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 1.3191 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 0.1830 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -1.6820 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 -1.1590 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 0.0287 -1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 -1.9667 -3.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -1.8252 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 -3.3468 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 -4.1715 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 -2.9769 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -3.5839 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 -4.9139 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 -5.7746 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -6.1195 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6638 -4.6416 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 -6.1125 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 3.8283 -3.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 4.3682 -2.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3209 2.1115 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 3.7503 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 1.7102 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1621 3.3663 -0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 2.8447 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 1.1891 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 0.8022 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 2.4620 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 0.2674 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3422 1.9805 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 1.4358 4.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -0.6038 5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 -1.9670 4.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3122 -1.4362 3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -3.8291 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -4.3733 3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -2.6322 4.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0186 -1.3880 3.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 -2.0283 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -2.7317 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 -2.6457 4.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 -4.2934 3.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 -2.6565 6.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 -4.7045 7.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -6.6368 5.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 -5.9031 4.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 -7.3799 5.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -6.1411 6.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -7.5362 6.7851 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 24 44 1 0 44 45 1 0 45 46 2 0 45 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 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 6 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 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END