HMDB0055044 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/O-18:0) 170169 0 0 0 0 0 0 0 0999 V2000 2.9624 -2.5863 -7.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 -3.4968 -8.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 -2.7559 -8.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -2.1717 -7.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -3.1991 -7.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 -2.4924 -6.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 -2.5089 -5.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -3.2557 -4.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 -4.2998 -3.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -4.4684 -2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 -3.5649 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 -4.3569 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -4.1580 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 -2.9801 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -2.1754 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 -1.9296 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -2.4149 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -1.2450 -1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -0.9839 -2.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 -1.7346 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 -0.8879 -4.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -0.1316 -3.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 -0.0016 -1.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 0.4443 -3.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 1.1708 -2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 1.6694 -2.8804 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8853 2.4882 -4.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 1.8782 -5.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 2.3377 -6.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 3.1604 -6.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 4.4732 -5.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 4.8132 -4.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 6.2820 -3.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 6.7653 -2.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 5.9576 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 6.6103 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 5.9917 1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4028 5.6850 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 4.5932 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 3.2452 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3704 2.8393 2.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 1.5785 2.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 1.2551 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6113 1.2870 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 0.8328 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.6743 2.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 0.4938 -3.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 0.1970 -2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 1.0459 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7593 -0.9535 -2.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4081 -0.9833 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 -2.1321 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 -2.0805 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 -2.1418 1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6342 -3.0605 2.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4698 -4.1827 3.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1671 -4.4368 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2654 -3.7492 5.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6038 -2.4344 5.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7252 -1.4592 5.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -0.7455 7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 -0.7596 8.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 0.6703 8.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 0.6494 9.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 2.0120 9.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7704 2.3860 7.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9799 -2.3521 -7.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -3.0832 -6.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -1.6002 -7.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 -4.4315 -7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -3.8443 -8.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 -1.9647 -9.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -3.4717 -9.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 -1.6160 -8.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 -1.4142 -7.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -3.8159 -7.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -3.8893 -6.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 -1.9214 -6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -1.9459 -4.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5287 -2.4730 -3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -3.5876 -4.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -5.0666 -4.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 -5.3242 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 -3.2623 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -2.6595 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -5.2460 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -4.8157 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -2.3068 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -3.2915 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -1.7986 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 -1.3452 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -3.1417 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4899 -2.8945 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -0.5979 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 -0.1167 -3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6234 -2.6771 -3.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 -1.9968 -4.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 -1.5625 -4.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -0.2353 -4.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 2.0668 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 0.5297 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 2.2526 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 3.5385 -3.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0075 2.5086 -4.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 2.8988 -6.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 1.4730 -6.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 3.1812 -7.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 2.4674 -5.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 5.1913 -6.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 4.8996 -5.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 4.1572 -3.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 4.6510 -3.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 6.8787 -4.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 6.4289 -4.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 7.7967 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 6.8585 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 4.9399 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 6.0398 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 7.7132 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 6.7515 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 6.6593 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 5.0463 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 6.6104 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 5.4644 2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 4.8093 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 4.4026 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7843 2.5200 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 3.4411 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 3.7160 2.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.8298 2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 0.7281 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 1.4305 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 1.7809 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 0.1653 3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 0.6707 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 2.3408 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 0.9645 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 -0.2155 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 2.6581 2.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 1.1128 3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 1.8884 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.8487 -2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2647 -1.9350 -2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9482 -0.0263 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5532 -1.0099 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 -2.0655 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8241 -3.1113 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4621 -1.1177 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -2.8697 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 -1.2953 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -2.9412 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 -5.1139 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1816 -4.3395 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7412 -5.4294 4.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 -4.1481 6.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2024 -1.9598 4.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 -2.4584 6.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5233 -1.4225 5.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6034 -0.0699 7.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8279 -1.3902 7.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 -0.9244 9.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 1.4053 8.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 0.9126 7.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 0.3371 10.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 -0.1043 8.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 1.9587 10.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0589 2.7935 9.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 2.7419 7.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 1.4393 7.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 3.1186 8.0244 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 46141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 66170 1 0 M END