HMDB0052982 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 2.2453 -3.2960 -10.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -3.2973 -8.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 -4.1499 -7.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -3.8541 -6.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -2.5631 -6.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -1.3712 -6.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3666 -0.6550 -6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.9974 -4.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 0.0779 -3.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3394 0.7113 -2.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.5085 -2.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 0.2019 -1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0827 -0.8375 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -1.9699 -2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -3.3101 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 -4.2098 -2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -4.1365 -3.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 -4.6049 -2.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -4.2656 -1.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5873 -2.9268 -1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -1.9542 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 -2.3958 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 -2.8670 0.6209 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 -2.2813 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 -2.6667 2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -2.4787 3.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8625 -0.9904 3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 -0.5929 2.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -1.1197 2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.9143 3.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 -0.8597 1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 0.3857 1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 0.8086 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3646 1.0602 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 2.0733 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 3.2110 -1.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5322 3.7548 -2.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 4.1058 -3.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 3.8150 -4.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 3.0339 -4.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7019 2.3092 -4.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 1.0296 -4.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 0.1631 -5.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 -1.0976 -4.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 -0.8286 -4.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -2.1928 -3.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -2.0163 -2.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -2.7531 5.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 -3.6169 5.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 -4.1634 5.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2104 -3.9498 7.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -4.0332 7.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -2.6881 7.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 -2.4796 8.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6669 -1.0823 7.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 0.0243 8.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 1.3774 7.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 1.3298 6.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 2.5775 5.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3871 3.7222 5.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 4.3302 5.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 4.0358 3.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 5.2399 2.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 4.8998 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4142 6.0426 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 5.6525 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 6.7493 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 -3.2007 -10.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -2.3608 -10.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 -4.1782 -10.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 -3.8488 -8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 -2.3127 -8.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -5.2317 -8.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -4.7200 -6.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -2.6472 -4.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 -2.3912 -6.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -1.0355 -7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 0.2291 -6.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 -1.0242 -4.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -1.9929 -4.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 0.3317 -3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9451 1.4984 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2064 -0.0884 -3.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 1.5760 -3.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 1.0070 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -0.8653 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 -1.9160 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8879 -1.7907 -3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7904 -3.5681 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 -5.1830 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -4.7770 -4.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 -3.1078 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 -5.7750 -2.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -4.6002 -4.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 -4.9630 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 -4.6996 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -3.0400 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 -2.4433 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -1.8542 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 -0.9379 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -2.1143 2.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 -3.7375 2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 -3.0601 3.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 -0.3447 3.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -0.7545 4.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4213 -0.7019 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 -1.6943 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0591 1.1976 1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3018 0.1330 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.1047 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2821 1.7810 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 1.2915 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 0.0920 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3457 1.8598 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 3.9283 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 3.1780 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 4.7552 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 4.7717 -3.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 4.2665 -5.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 3.8032 -5.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 2.3883 -5.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1814 2.8475 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7076 0.6037 -3.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5137 -0.1052 -5.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 0.6663 -6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6234 -1.6663 -5.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6131 -1.7502 -4.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 -0.2236 -4.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9981 -0.3404 -3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -2.7214 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8254 -2.7267 -4.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -2.8839 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 -2.0429 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -1.1120 -3.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -4.9451 7.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 -3.1824 7.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -4.1367 8.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -4.8784 7.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 -1.9222 8.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 -2.4119 6.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 -2.5546 9.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 -3.2115 7.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -0.9764 7.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 -1.1414 6.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 0.0954 9.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 -0.1103 8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 1.5300 7.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 2.2001 8.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 0.9696 5.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 0.5440 5.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 2.8610 5.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 2.3993 4.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 4.0889 6.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 5.1870 5.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2156 3.9090 3.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 3.1551 3.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 5.4699 2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 6.1371 3.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0378 3.9878 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 4.6142 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 6.9336 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 6.3400 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 4.7016 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1495 5.5016 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 7.3311 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 6.3616 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 7.4113 -1.5075 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 2 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 0 25102 1 0 26103 1 6 27104 1 0 27105 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 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 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 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END