HMDB0055472 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 0.3888 4.8305 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 5.4633 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 6.7508 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 7.0534 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 6.0698 -1.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 5.8779 -3.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 4.7247 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 3.4934 -2.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 3.0452 -2.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.8858 -3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 0.8745 -3.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 -0.4071 -3.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 -0.8633 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -0.1588 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.8804 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -2.2018 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 -2.3331 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -1.9038 1.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 -2.5745 1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -1.9131 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 -0.9046 3.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 -2.3284 2.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4603 -1.5436 3.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -0.2112 2.5906 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3361 0.7581 3.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 1.0137 4.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 1.8460 5.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0251 2.4142 5.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 2.1010 6.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 0.8781 7.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 0.9528 8.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.3100 8.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4382 2.6562 8.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 2.9305 7.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.9151 6.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 2.2301 7.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.5380 6.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 2.6310 4.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 1.7690 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 0.7972 4.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 0.2581 5.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 0.2565 5.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 0.7133 4.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6462 1.3807 3.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 0.5956 2.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3875 -0.4949 1.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -0.4141 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -0.1063 0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 -0.6962 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 -0.9263 -2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 -1.1588 -3.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -2.2510 -3.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 -3.3045 -4.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 -3.7643 -5.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 -3.0393 -5.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -3.4981 -5.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 -4.7907 -4.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -5.8923 -5.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -5.9934 -6.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2481 -4.9668 -7.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -4.7965 -7.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -3.7501 -7.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -2.4169 -6.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 -1.3774 -7.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 -0.0764 -7.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 1.0752 -8.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 0.7390 -9.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 4.5195 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 5.5232 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 3.8867 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 4.7592 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 5.6920 1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 7.5887 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3983 8.0297 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 6.5749 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 5.1857 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 6.7528 -4.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 4.6863 -4.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 2.7624 -3.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 3.7012 -1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 3.7872 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6965 1.6767 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 0.6094 -4.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2355 1.2191 -4.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -1.1036 -3.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.9053 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 0.9127 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -0.3281 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.2117 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -1.0220 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 -2.7880 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 -2.8294 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1807 -1.8941 1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -3.4442 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -2.2782 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 -0.8005 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 -3.6532 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 -2.4847 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -2.0292 3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -1.4088 4.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 0.1698 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 1.7212 2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3082 0.3407 3.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 2.3831 6.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 2.9295 7.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 0.0475 7.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 0.5142 7.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -0.0613 9.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 1.6382 9.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 1.3022 10.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 0.4893 8.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 3.5295 8.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 4.0063 7.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 0.8713 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 1.8878 5.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9185 2.1927 8.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 2.7801 6.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 2.6895 4.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 3.7280 4.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.9974 2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 0.2658 3.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6948 0.5481 6.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 -0.9093 5.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9737 -0.2228 6.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7452 0.5999 5.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 1.8595 3.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 2.2976 3.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 0.7169 1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 -0.4904 2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 0.8274 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2248 -1.5842 -0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 0.1711 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 -1.6744 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 0.0583 -2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 -0.2092 -3.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 -1.0225 -4.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1984 -2.1513 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 -4.0164 -4.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 -4.8736 -5.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 -3.7845 -6.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 -2.0705 -5.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -2.8139 -5.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -5.2065 -4.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 -4.5389 -3.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -6.8807 -4.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -7.0045 -6.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 -4.0227 -7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -5.4504 -8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -5.7416 -7.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 -3.8252 -7.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7852 -2.4228 -6.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -2.0756 -5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -1.2622 -7.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -1.6500 -8.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5877 -0.2733 -7.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 0.0953 -6.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 1.9744 -7.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 1.2284 -8.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1849 0.1249 -10.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 1.7018 -10.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 0.1717 -9.5093 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 64154 1 0 65155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 67160 1 0 67161 1 0 M END