HMDB0299138 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/i-16:0/0:0) 113113 0 0 0 0 0 0 0 0999 V2000 -16.1745 3.2456 0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7555 3.5431 1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8994 2.3899 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4704 2.5482 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6337 1.3705 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6288 1.2640 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5699 1.3317 -1.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2199 1.5284 -0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3068 0.3672 -1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1415 0.1739 -2.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0443 0.7240 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8778 -0.2718 -1.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3377 -1.5786 -2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4603 -2.6121 -1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2302 -2.8900 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 -1.9363 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6703 -1.9582 1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 -2.8683 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -4.0476 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -3.7274 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 -3.1022 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -3.0706 0.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -2.5724 -1.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 -2.0009 -2.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3343 -0.8055 -1.2510 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5848 0.3639 -1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 1.4392 -0.7126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6711 -0.4396 -1.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 -0.7198 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 -1.2501 0.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -0.4104 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 -0.9887 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -0.7754 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 -1.4206 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -0.8496 2.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 0.5647 2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 1.1748 2.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2145 1.1394 1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5572 1.8602 1.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 1.8581 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7966 0.4878 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 0.4534 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9891 1.1164 -1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8663 0.5439 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9982 2.5979 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9244 3.8242 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3194 2.1391 0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2210 3.4781 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7755 3.5936 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4037 4.4924 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9165 2.3579 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3401 1.4734 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9915 3.4625 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4684 2.6226 2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1704 0.4429 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7048 1.4035 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6087 1.1055 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6328 1.2445 -2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1515 1.6446 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7323 2.4574 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3620 -0.5784 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7488 1.7528 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0711 0.1423 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6294 -0.2059 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6129 -1.7076 -3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8428 -3.5316 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7201 -3.8954 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3071 -3.2642 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4545 -1.0630 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -1.0175 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 -2.2183 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3918 -3.1547 2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0654 -4.8955 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -4.5794 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 -3.0861 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -4.7123 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0675 -1.7388 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -2.7401 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 -1.1946 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 0.6937 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 0.1297 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 1.9004 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 0.6767 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -0.9001 -1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 -2.0601 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -0.5140 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6982 -1.3207 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 0.2869 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2102 -1.5724 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7154 -2.4883 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5072 -1.4507 3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.1805 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 1.2444 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 0.7542 3.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0534 0.7800 3.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.2908 2.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4403 0.1149 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7158 1.6686 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 2.8929 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0709 1.3094 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9474 2.4378 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3469 2.4404 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8337 -0.0333 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1856 -0.1328 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0805 0.9380 -2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7852 -0.6171 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 0.8020 -2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 0.6653 -0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7043 -0.5680 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7737 1.0306 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0104 3.0652 -1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6930 2.9948 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4047 3.0663 -0.2307 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 42 43 1 0 43 44 1 0 43 45 1 0 11 9 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 1 26 80 1 0 26 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END