HMDB0294642 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(16R)/12:0/0:0) 101100 0 0 0 0 0 0 0 0999 V2000 10.2658 4.7528 -2.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4562 3.4612 -1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7499 3.5421 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 2.2320 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 2.2549 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 1.0171 2.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9462 -0.2487 2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4883 -0.2943 2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1059 -1.6389 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7993 -1.9395 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 -0.9186 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -1.0089 -1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 -0.1158 -1.8688 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -2.0537 -0.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8688 -2.2449 -0.9427 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6119 -3.4395 -1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 -3.2988 -3.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 -2.1100 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -2.3832 0.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0512 -3.5430 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -4.6384 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 -3.7051 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0602 -2.3364 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -2.4559 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -3.0550 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 -2.4053 -2.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3287 -1.0448 -2.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -1.2082 -2.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 -0.8888 -1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0604 -0.3253 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6666 0.9969 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4072 1.3781 1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 0.5603 2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1117 0.2244 2.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2013 0.5957 2.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2703 1.4510 1.0109 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7709 0.8085 -0.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7682 1.6750 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8698 2.5386 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2514 3.8906 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4302 4.7025 -1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.7403 -2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2095 4.7933 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 5.6316 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 2.6584 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5191 3.2750 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6912 3.7828 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2929 4.3684 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4858 1.4475 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0374 2.0491 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7714 3.0858 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2271 2.5838 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 1.1621 3.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4976 0.8319 3.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5815 -0.5864 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 -1.0560 3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1314 0.5319 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 -0.1848 2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 -2.4545 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9944 -1.7402 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4239 -2.9558 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8765 -2.0161 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0006 -1.0880 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 0.0931 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3424 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 -3.5082 -2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -4.4007 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -3.3635 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -1.0410 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -2.7640 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 -4.1638 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -4.3838 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 -1.7002 -0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.9204 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -1.4652 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 -3.0966 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -4.0795 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 -2.9141 -3.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -0.4412 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -0.4602 -3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2043 -1.6308 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6748 -1.0273 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2568 -1.0619 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 -0.1818 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4647 1.7240 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7298 2.4381 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2081 0.9998 3.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1969 -0.4303 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2451 -0.4488 3.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1686 0.2423 2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9097 2.4833 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4467 1.3996 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2302 2.1165 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2358 0.7086 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3208 2.0021 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9070 2.6156 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8107 4.4398 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1828 3.8822 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4559 5.0989 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8011 4.0272 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1015 5.5670 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 15 65 1 6 16 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 35 90 1 0 36 91 1 1 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END