HMDB0294834 RDKit 3D DG(20:4(6E,8Z,11Z,14Z)-OH(5S)/13:0/0:0) 104103 0 0 0 0 0 0 0 0999 V2000 13.8562 1.9054 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 0.8951 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 -0.4280 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 -1.5869 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -1.3181 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 -2.4332 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 -2.3799 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 -1.3019 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8196 0.0197 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 1.1086 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 1.1595 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 2.0403 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9332 1.7148 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 0.3804 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 0.0983 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 -1.2499 -0.9427 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3447 -1.9583 0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.1998 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -0.6079 -1.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -0.5670 -1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 0.3210 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 -0.1933 0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 1.6674 -0.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 2.5784 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 2.5093 1.3398 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7531 3.6968 2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 4.8354 1.5066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 1.3070 1.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 0.5425 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9511 1.0454 1.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 -0.7162 2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4555 -1.4410 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5828 -1.8095 0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8734 -2.5836 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1016 -1.8139 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2529 -0.5489 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5033 0.1809 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7599 -0.6354 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9139 -1.0256 -1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9922 0.1874 -1.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1463 1.0835 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4918 0.4252 -1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1958 1.6788 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4342 2.9297 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6830 1.8889 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 0.9372 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 1.2924 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2072 -0.6392 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4746 -0.3077 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7637 -2.5201 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1401 -1.6196 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6780 -0.3225 0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2577 -1.3872 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4156 -3.4148 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3733 -3.3730 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1669 -1.2352 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 -1.6922 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7402 0.1513 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8531 2.0527 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 1.7867 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 0.2154 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 3.0707 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3469 2.4542 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 -0.3711 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.8816 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.8393 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -2.7028 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -2.1963 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -0.4879 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 0.3835 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 -1.2610 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -1.5605 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -0.1918 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 2.6209 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 3.6082 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 2.6963 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 3.6626 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 3.8116 2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 4.8405 0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3011 -1.3624 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -0.5083 3.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 -2.3266 2.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2844 -0.7149 2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 -2.5394 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5654 -0.9367 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8803 -2.7707 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8002 -3.5492 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0596 -1.5567 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9776 -2.4779 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3148 -0.8211 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4015 0.1148 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 0.4328 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5629 1.1288 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6451 -0.0376 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7797 -1.5382 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8785 -1.5678 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0927 -1.6979 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1298 -0.1853 -3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0795 0.8000 -1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9852 1.5261 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0934 1.9475 -2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5055 -0.2474 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2605 1.2332 -1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7105 -0.0906 -0.8409 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 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 16 66 1 6 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 26 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END