HMDB0295372 RDKit 3D DG(18:3(9,11,15)-OH(13)/15:0/0:0) 106105 0 0 0 0 0 0 0 0999 V2000 16.9737 -0.5138 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9624 -1.4993 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7145 -0.6942 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5765 -1.0188 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3135 -0.2864 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 -1.1659 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9511 -2.2486 0.5726 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9603 -0.3878 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -0.0739 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 0.6905 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1882 1.0402 1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 1.8152 1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 2.1543 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4243 2.9451 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 2.1636 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9682 2.9563 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 3.3435 -1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 2.2221 -2.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 1.3273 -2.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 1.4770 -1.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 0.1999 -2.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -0.6829 -2.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 -1.3699 -1.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5177 -2.2210 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 -1.4387 -1.4879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 -2.2268 -0.8783 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 -2.1409 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.2939 1.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6556 -3.0868 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 -2.8952 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 -1.5613 2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9748 -1.1578 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0672 -2.1591 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2148 -2.0476 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1614 -0.9318 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7003 0.4209 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7615 1.4613 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8420 1.4376 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8057 0.3474 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6069 -0.0250 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4474 1.1396 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4185 1.6046 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0084 -0.8115 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7918 0.4710 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8114 -0.4536 1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7852 -2.3192 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3406 -1.8195 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7195 0.1622 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 -1.8980 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 0.1272 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 0.5434 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4851 -1.5692 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3739 -3.0677 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 -0.0750 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5061 -0.3846 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7028 0.9947 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5288 0.7048 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0266 2.7265 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1168 1.2202 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2229 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 2.7562 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 3.8973 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 3.1221 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 1.9063 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 1.2053 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 2.4452 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 3.9368 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 3.8792 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 4.1181 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 1.6656 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 2.6922 -3.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 -1.4105 -3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 -0.1463 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 -0.6981 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 -3.0121 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -2.7043 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 -1.1901 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2455 -4.1177 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 -2.9915 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4459 -3.0346 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9922 -3.7157 2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -0.7378 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 -1.6467 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6017 -0.9155 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3467 -0.1994 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 -2.2980 2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5691 -3.1728 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8509 -3.0125 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8336 -2.1749 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9744 -1.2087 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7097 -0.8328 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1111 0.4514 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9328 0.8450 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0999 1.6082 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1931 2.4471 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3362 1.5257 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4020 2.4473 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6394 0.7895 -1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5417 -0.5512 -1.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3519 -0.8041 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0341 -0.4990 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7818 2.0226 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0422 0.8526 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3115 2.0148 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9586 2.3540 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7542 0.6984 -1.0838 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 2 0 27 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 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 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 22 72 1 0 22 73 1 0 23 74 1 1 24 75 1 0 24 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 M END