HMDB0050882 RDKit 3D TG(20:3(5Z,8Z,11Z)/14:0/20:4(8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -0.9582 -3.4382 6.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 -2.5809 6.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 -1.6531 5.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -0.3601 5.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 0.3573 6.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 1.1769 6.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 2.4521 6.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3947 3.3828 6.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 3.0715 6.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 3.4102 5.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 4.1525 4.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 3.3235 3.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 3.6565 2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 4.9390 2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 5.6515 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 4.7733 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 4.5153 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 3.5400 -1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 3.3932 -1.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 2.4258 -2.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 1.3407 -2.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 2.5813 -4.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 1.5877 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 0.2510 -4.9376 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7607 -0.7351 -5.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -2.0614 -5.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4145 -2.9068 -4.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 -2.4486 -3.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 -4.3201 -4.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -5.2083 -3.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -6.6144 -3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 -7.6893 -2.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 -8.5643 -2.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -8.5421 -2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -8.6218 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2232 -7.8331 -1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -6.5095 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -5.8501 -2.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8928 -4.7361 -2.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -4.1911 -1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3313 -2.7518 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 -2.2146 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -2.2349 0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -1.4092 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 -1.6659 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -0.8936 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 0.6029 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 0.2403 -5.3378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 0.1712 -4.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 0.1465 -3.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 0.1236 -5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0913 0.4704 -4.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 1.8922 -3.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.1079 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 3.5808 -2.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 3.9439 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2821 5.4365 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 5.9378 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 5.3543 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 5.9275 2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 5.3750 3.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0802 5.9551 4.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9607 5.4632 5.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -3.4074 7.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -2.9609 5.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -4.4165 5.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -3.3295 6.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 -2.1905 7.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4861 -2.1708 4.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 0.1992 4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 -0.4259 7.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 0.8436 6.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4738 0.6159 6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5186 2.9185 7.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 4.2990 6.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 3.9659 8.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.5491 7.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 3.1321 5.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 4.3953 4.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 5.0931 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 2.3157 3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 2.9263 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 5.6367 3.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 4.8369 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 6.5701 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 5.9029 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 3.8482 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 5.3628 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 5.4706 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 4.0536 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 2.5852 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 3.9011 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 3.1428 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 4.4010 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 1.3713 -4.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 1.9659 -6.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8317 0.0269 -3.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -0.4695 -6.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 -0.4979 -5.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -4.7576 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 -4.5322 -5.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 -4.8308 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3303 -5.2183 -3.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -6.8796 -4.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -6.5329 -4.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0176 -7.8269 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -9.3429 -1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -9.5607 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -7.8458 -3.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 -9.6165 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 -8.2413 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6784 -6.6396 -2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 -5.8743 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2262 -6.1614 -3.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -4.2688 -3.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -4.7375 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -4.0731 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -2.6932 -1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1002 -2.1690 -1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 -2.7730 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2267 -1.1532 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 -3.2776 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 -1.8985 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -1.6733 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -0.3506 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.5606 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 -2.7535 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -1.0971 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 -1.1856 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 1.0449 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 0.8831 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 1.0263 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 0.8095 -6.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -0.8966 -5.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 0.3223 -4.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -0.2640 -3.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2581 2.5624 -4.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 2.1789 -3.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2079 1.8876 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 1.5419 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 3.9092 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 4.1060 -3.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3423 3.7109 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 3.4112 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 5.7907 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 5.9280 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3151 5.7034 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2654 7.0341 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 4.2690 1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 5.6410 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1977 5.6103 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1255 7.0199 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0329 5.7354 3.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0256 4.2899 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 5.5715 3.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1218 7.0621 4.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8736 5.7738 6.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 4.3826 5.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 5.9675 6.2756 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END