HMDB0271969 RDKit 3D PG(i-20:0/18:3(9,11,15)-OH(13)) 137136 0 0 0 0 0 0 0 0999 V2000 -15.0450 -1.1196 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3484 -2.3648 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1379 -3.2235 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5314 -3.5261 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3178 -4.3707 2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8006 -4.8708 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7149 -5.6505 0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2209 -3.8493 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0923 -2.5805 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5016 -1.6582 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3399 -0.3579 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7219 0.4945 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4568 1.1773 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 2.0033 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6418 2.7291 -1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 1.8673 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0839 0.8696 -2.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 0.0404 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.9075 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 1.1950 -2.4286 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 1.4228 -0.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3878 2.2288 -0.0571 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5096 1.9225 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 0.6715 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 0.1587 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 0.9116 -0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -1.1751 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 -1.0108 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 -0.1543 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 0.1061 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -1.0786 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1188 -1.9012 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 -3.0697 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 -2.6674 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9658 -1.8154 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3348 -1.2749 -1.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4687 -2.1745 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 -3.2659 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9733 -3.9736 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2377 -3.2692 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7193 -2.4897 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8961 -1.3015 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4765 -0.5365 1.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5738 -1.3588 3.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 0.6038 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 3.6589 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 4.5272 0.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 6.1118 0.6463 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9702 6.8682 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2665 6.8482 1.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 6.4408 1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 6.9568 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9871 7.2467 0.4506 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7129 7.7517 -0.6453 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7247 6.0649 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 6.5310 1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3133 -1.3732 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9488 -0.9306 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6125 -0.2773 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1784 -2.9467 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6257 -2.0893 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7813 -3.5829 0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9350 -3.1374 3.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5157 -3.9257 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6432 -5.2892 2.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9547 -5.5798 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4350 -6.5601 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8630 -4.1809 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4335 -2.2052 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1623 -2.0519 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6755 0.0385 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4746 1.2401 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4257 -0.1199 -2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7682 1.7736 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7405 0.3782 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6071 2.7425 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6774 1.3023 -2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8753 3.4751 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 3.2878 -2.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6242 2.5621 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 1.3835 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8872 0.1654 -2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7363 1.3627 -3.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 -0.4805 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 -0.7353 -2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8408 2.3282 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 2.7051 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 2.0107 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -1.6063 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -1.8307 0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -1.9966 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 -0.5151 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 0.8651 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 -0.5894 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 0.6360 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5291 0.8661 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -0.6604 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 -1.6695 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 -2.3017 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 -1.2746 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 -3.6778 -1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7159 -3.6644 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 -2.0479 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.5841 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2409 -0.9365 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7821 -2.3856 -2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 -0.4991 -2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 -0.6876 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4322 -1.5715 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4226 -2.6945 -2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -4.0811 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3221 -3.0111 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9758 -4.8593 -0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9049 -4.5036 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0634 -4.0344 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3525 -2.5857 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7295 -2.0573 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0083 -3.0991 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8249 -1.4674 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9276 -0.5478 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4542 -0.1430 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9235 -0.7093 3.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5659 -1.7406 3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -2.1766 2.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4451 0.2233 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7274 1.1040 3.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5363 1.3776 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 3.5902 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 3.8901 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6746 6.8161 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5294 6.3790 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1193 7.9638 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9932 8.0256 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8035 6.9711 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 5.6083 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 5.3708 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3482 6.0053 2.1343 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 25 26 2 0 25 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 43 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 50130 1 0 52131 1 0 52132 1 0 53133 1 1 54134 1 0 55135 1 0 55136 1 0 56137 1 0 M END