HMDB0043212 RDKit 3D TG(15:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -2.8364 -4.8575 5.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -3.8469 6.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 -4.4159 7.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -3.4147 8.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 -2.2211 9.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 -1.2222 9.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 0.0320 9.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 0.5314 8.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 1.6323 8.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 2.8203 7.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 3.2417 6.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 3.4910 5.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 2.8474 4.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 1.8478 4.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.4741 4.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 -0.2138 3.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 0.2838 2.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -0.0236 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 0.4146 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 1.8572 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 2.5883 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 2.5133 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 2.9671 1.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.9190 -0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9341 1.8372 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 1.0806 -0.4339 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6422 -0.2845 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2834 -1.2191 0.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 -2.4944 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -2.6682 -1.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 -3.6528 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 -3.4309 1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -4.6903 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3145 -5.6962 1.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -5.3620 1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -4.9991 2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -4.7463 2.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 -3.6236 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 -3.5108 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 -2.3688 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 -2.3009 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 -1.1781 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 0.1681 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 1.2476 -1.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 1.7963 -1.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 2.4434 -1.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 2.3837 -0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 3.1474 -3.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 4.3778 -3.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 4.0706 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8809 5.2702 -3.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 5.8128 -5.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 5.0689 -6.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 3.7015 -6.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 3.5820 -7.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 3.1454 -8.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 2.6965 -9.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 1.2308 -9.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 0.6219 -10.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 0.5444 -10.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -0.2670 -9.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 0.0716 -8.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -4.8127 4.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9314 -4.5772 5.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 -5.8961 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -3.0816 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -3.3930 5.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0567 -4.9520 8.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 -5.1817 7.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 -3.0901 8.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -3.9142 9.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 -1.7974 8.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -2.6802 9.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.5643 10.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 0.6785 10.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -0.2283 7.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 0.9548 7.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.4644 8.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 3.5716 7.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 4.3064 7.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 2.7328 7.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 4.2358 5.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 3.0491 3.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 2.2834 4.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 1.8135 5.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 -0.0203 4.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 -1.2775 3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 -0.3596 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 1.2954 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -1.1679 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 0.2196 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 -0.1035 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 -0.0070 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 2.4174 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 1.9653 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 2.2478 -1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8907 3.6710 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 1.4450 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 2.8992 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 1.1280 0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -0.7062 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 -0.1978 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 -4.3013 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -4.2748 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 -2.7844 2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -2.9116 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -4.4453 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -5.1928 2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 -6.5760 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 -6.1636 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -6.2592 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -4.5430 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -5.7870 3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 -4.0767 3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6565 -4.5426 2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 -5.6623 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -2.6558 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -3.8127 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9513 -4.4677 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1631 -3.3380 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -1.4374 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 -2.4778 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5465 -3.2582 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 -2.2762 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -1.2729 -2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7255 -1.1742 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7717 0.2704 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 0.1546 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1359 2.1826 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 1.4275 -1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 1.0517 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7637 2.4515 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9953 3.3987 -3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5416 4.8967 -4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 5.0538 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 3.2138 -4.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 3.8620 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 6.0792 -3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 5.0370 -3.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 6.8514 -5.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 6.0352 -5.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 5.1138 -6.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 5.7124 -7.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 3.4804 -7.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 2.8978 -6.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 3.8707 -6.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 3.1320 -8.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 2.8668 -9.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1251 3.2063 -10.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 1.3030 -9.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 0.6517 -8.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9943 -0.3457 -11.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 1.2979 -11.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.5914 -11.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 0.1047 -11.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 -1.3754 -10.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -0.2252 -10.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -0.1813 -8.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 1.1492 -8.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 -0.5727 -7.9456 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 1 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 2 0 29 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 26 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 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 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 44131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END