HMDB0007539 RDKit 3D DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0) 112111 0 0 0 0 0 0 0 0999 V2000 14.7574 2.8558 -2.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7685 3.0883 -1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3741 2.8832 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5256 1.9973 -1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9494 1.0817 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 -0.3171 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1236 -1.2111 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2963 -0.9953 0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8672 -1.3014 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -0.4946 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 0.8848 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2734 1.2613 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 0.5074 3.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -0.9128 3.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 -1.2857 3.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 -0.7738 2.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -1.1511 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -2.6262 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1069 -3.1139 2.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2572 -2.7097 0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5168 -1.7332 1.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -3.3075 -0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 -3.0204 -1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 -1.6645 -1.9756 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0275 -1.4653 -2.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 -0.2773 -3.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -0.5971 -1.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8046 0.2408 -1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4432 -0.0245 -2.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 1.3716 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 0.9433 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -0.0135 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1107 0.4645 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1612 -0.6004 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -1.1061 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4351 -0.7483 -2.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4119 -0.1916 -3.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6467 0.1448 -2.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3515 0.0234 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4756 -0.9424 -1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7352 -0.7038 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2578 0.6007 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9795 0.4536 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5052 1.8095 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2299 1.7493 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7455 3.1173 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 3.1502 -3.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6779 3.4536 -2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0554 1.7852 -2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0725 2.5787 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8825 4.1991 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9890 3.5313 -2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 1.9451 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1762 1.2624 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8992 1.3158 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4119 -0.6637 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1424 -2.2338 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 -1.8172 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 -0.0710 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6618 -2.3423 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8508 -0.8818 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 1.2359 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5085 1.5421 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3068 2.3672 2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2061 1.0721 4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 -1.2868 4.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 -1.5821 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 -2.4123 3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 -0.9000 4.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 0.3396 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 -1.1495 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 -0.6820 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2284 -0.7161 2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0671 -3.1244 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 -3.0468 3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -2.8775 3.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1484 -4.2365 2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -3.2680 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -3.7860 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -1.6590 -2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -1.5178 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 -2.3410 -3.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6639 0.4242 -2.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 2.1176 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 1.9179 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 0.6317 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 1.8999 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0608 -0.2887 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 -0.9836 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 0.9819 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 1.2562 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4931 -0.9855 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 -1.9316 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5063 -0.0979 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 -1.7382 -2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0647 -0.0048 -4.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2631 0.5641 -3.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7795 -0.1850 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8468 1.0594 -1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2260 -1.9794 -2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4670 -1.5271 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0312 0.8978 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5100 1.3667 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7640 -0.2968 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2723 0.1062 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2484 2.1201 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6606 2.5088 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4847 1.4554 2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0302 0.9868 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6272 3.3192 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9744 3.8696 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1434 3.1620 3.2704 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 24 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 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 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 23 78 1 0 23 79 1 0 24 80 1 6 25 81 1 0 25 82 1 0 26 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 46112 1 0 M END