HMDB0297863 RDKit 3D DG(18:3(10,12,15)-OH(9)/a-17:0/0:0) 112111 0 0 0 0 0 0 0 0999 V2000 16.1936 -4.4435 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0396 -3.2114 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3776 -2.0445 0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0226 -1.0150 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 0.1455 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0238 0.3256 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 0.2682 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6381 0.4479 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5006 0.4032 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 0.5985 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4288 1.3555 -0.9989 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1932 1.2408 1.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8132 1.4688 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 2.3408 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 2.6908 -1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4046 1.6984 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8212 0.7760 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 -0.1460 -1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 0.6264 -1.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 0.6682 -3.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 1.3599 -1.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 2.0973 -1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.8526 -0.6096 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0641 3.8617 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 3.1598 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 1.9068 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 1.6091 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 2.2563 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 0.6007 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -0.8054 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -1.8156 2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 -1.7352 2.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2461 -1.8025 1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5204 -0.7155 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8527 -0.9182 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9718 -0.9211 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2949 -1.1394 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5516 -0.0749 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8829 -0.3129 -1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0299 -0.3050 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3568 -0.5468 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4272 -1.8609 -1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4367 -0.3699 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7943 -0.5964 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6710 -5.2773 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2074 -4.6717 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1458 -4.2595 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1220 -3.0845 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 -3.3367 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1895 -2.0504 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2145 -1.0214 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2400 0.0273 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9439 1.0946 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 0.5107 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9790 0.0892 1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 0.6285 -0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5335 0.2240 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8111 -0.3882 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7066 0.7095 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0342 0.5007 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5872 2.1464 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 0.4169 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 1.8144 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3514 1.9061 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 3.3254 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 3.4458 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5593 3.3831 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 2.2400 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 1.0379 -2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4647 0.1779 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 1.3700 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 -0.8147 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2911 -0.7168 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 2.7865 -2.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 1.3450 -2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 3.3937 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 4.4928 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 4.5036 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 3.2005 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 0.8388 1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5003 0.6527 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -0.8916 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -1.0271 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -2.8166 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 -1.8969 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9655 -2.5509 3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 -0.8034 3.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4426 -2.8168 1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0799 -1.7357 2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5703 0.2605 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7917 -0.5581 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0176 -0.0437 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8198 -1.8191 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0104 0.0081 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8383 -1.7919 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0657 -1.2009 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2968 -2.1279 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7913 -0.1596 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5043 0.9480 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9498 0.5279 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7649 -1.2426 -1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0780 0.7010 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9012 -1.0224 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4769 0.2619 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9206 -2.6282 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4951 -2.1362 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9183 -1.7792 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3800 0.6884 0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2494 -1.0337 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4984 0.1754 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1243 -1.6163 -0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7070 -0.4917 -1.6210 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 2 0 9 10 1 0 10 11 1 0 10 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 41 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 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 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 23 76 1 6 24 77 1 0 24 78 1 0 25 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 M END