HMDB0050808 RDKit 3D TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -8.1102 4.1949 2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8653 4.6306 3.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0481 5.4691 2.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 5.1881 2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 4.0002 2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 3.2497 1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 2.0192 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 1.1709 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 0.1361 2.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9743 -1.1205 2.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0982 -1.6660 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -2.5180 2.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0763 -3.7809 2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5856 -4.6452 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 -4.3332 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -4.7810 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -5.6752 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -5.2847 1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -4.9192 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 -3.7276 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8973 -3.0042 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 -3.2421 -1.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -2.1323 -1.9356 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9696 -1.0227 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 -0.5088 -0.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.0000 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 0.0397 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6239 0.5535 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8017 0.7929 2.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 1.5052 3.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 1.6844 3.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 0.3989 4.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 -0.1777 5.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.3614 6.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -2.5572 6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -2.9139 5.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5845 -4.0142 4.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -4.8586 4.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -5.0014 4.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 -4.9610 3.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 -4.1046 2.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 -3.0425 3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3717 -3.0818 3.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2876 -3.9687 3.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1251 -5.2073 2.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 -5.2316 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 -2.4831 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -2.7585 -3.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 -1.6610 -3.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 -0.5312 -3.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 -1.4558 -3.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7339 -2.6005 -3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -2.3192 -3.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7413 -1.7994 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -0.5480 -5.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 0.6669 -4.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 1.8510 -5.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.0477 -4.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 4.1915 -5.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8344 5.3313 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7302 5.8011 -3.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 5.1821 -4.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 6.2285 -4.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 5.6054 -5.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 5.0673 -3.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 4.4351 -4.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 3.2858 -5.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 2.5782 -5.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 2.0021 -4.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1009 3.1284 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0272 4.3959 3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1716 4.7461 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3508 3.7284 3.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1754 5.2553 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 6.3868 1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3062 5.9184 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 4.4838 2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4729 3.4067 3.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 3.7228 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 1.4938 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 0.8773 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 1.7797 2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 0.5274 3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2605 -1.8548 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7697 -0.8450 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -2.1281 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 -2.0121 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7336 -4.2446 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1098 -5.5410 1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5198 -5.2718 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -3.6905 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -4.4923 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -6.3167 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4985 -6.5464 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3705 -6.0791 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8292 -4.3943 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -5.8346 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -4.8822 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -1.6818 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.2746 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -0.1688 -2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 1.4953 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -0.1747 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 -0.1486 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 1.4793 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 2.5487 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0742 1.0352 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 2.1273 3.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 2.4313 4.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 0.6383 4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -0.2634 3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 0.6534 6.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -0.2927 5.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 -1.2241 6.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 -3.2715 6.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.0119 5.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 -3.1174 6.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -4.1823 4.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -5.6653 3.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 -4.4097 5.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -6.0792 4.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 -5.7446 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -4.2435 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 -2.9364 4.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7545 -2.0278 3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -2.1948 4.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3433 -3.7487 4.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6812 -6.0021 3.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 -5.6634 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -4.7336 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9634 -4.7965 1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1174 -6.3121 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 -3.4481 -3.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -1.6762 -4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -0.7801 -2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.7586 -4.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -3.3474 -4.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5144 -3.1843 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -1.6853 -2.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 -3.2968 -3.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8635 -1.7231 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -2.6344 -5.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -0.3017 -6.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -0.5927 -6.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 0.8931 -4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 0.4847 -3.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 1.5486 -5.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 2.0341 -6.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 3.3548 -4.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2296 2.7889 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 3.8619 -5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5731 4.5224 -6.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 5.8308 -3.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 6.6834 -3.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 4.2444 -4.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 4.9722 -3.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 6.5915 -5.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 7.0407 -3.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 4.8363 -5.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 6.3905 -5.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 4.2488 -3.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 5.8192 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6038 5.1634 -4.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 4.0239 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 3.7534 -6.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 2.5492 -4.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 3.2357 -5.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 1.7392 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 1.8475 -3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4098 2.5958 -3.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 0.9772 -4.3473 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 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 23 47 1 0 47 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 1 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 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 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END