HMDB0264697 RDKit 3D PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:0) 132131 0 0 0 0 0 0 0 0999 V2000 16.4769 -0.9814 -4.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1993 -1.3661 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2188 -0.8748 -1.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8991 0.0702 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6009 0.7207 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8680 0.7075 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6290 0.3339 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8896 -0.1784 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9772 -1.3969 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3505 -1.9759 -1.0225 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1105 -0.5447 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4123 0.0999 1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 0.9605 2.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5054 1.5961 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 1.3173 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.6879 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3283 0.2354 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 0.3200 0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -1.0304 1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 -1.3751 1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -0.5885 1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -0.0410 2.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 0.6827 1.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 0.1873 2.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 1.8440 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 2.2534 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 1.1513 -0.4895 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0311 1.2680 -1.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 0.0381 -2.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.0312 -3.0653 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2912 0.1422 -4.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 1.0642 -2.6301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 -1.5903 -2.8115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 0.9239 -1.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 -0.3662 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 -1.1965 -0.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 -0.7948 -1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9877 -1.3196 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0573 -0.2570 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 0.9963 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2611 0.9618 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8453 0.2394 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3759 0.2280 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 -0.6857 0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1473 -0.6078 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6346 -1.5065 2.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0831 -1.0888 2.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1447 0.2317 3.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5923 0.7289 3.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0670 0.9576 1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2701 1.9685 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6099 2.0341 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2770 0.7031 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4936 0.5503 -2.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9295 0.7862 -2.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6525 -0.2365 -4.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4376 -0.4920 -4.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3745 -1.7925 -4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3309 -2.5255 -2.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1632 -1.2568 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1996 -1.2952 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7489 0.3470 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9726 0.5020 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8309 1.8368 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4149 1.0303 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1067 0.3288 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3777 -0.6262 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1175 0.5616 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 -2.0531 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2450 -1.3414 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 -0.8024 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1102 -0.1499 2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 1.1420 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8321 2.3056 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 0.9937 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 2.4284 -0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7382 0.5886 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 -0.2245 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3053 0.8892 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 0.8745 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -1.6944 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 -2.3908 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 0.0845 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -1.3996 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 0.5370 3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -0.9128 3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 3.2007 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 2.2628 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 0.2128 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 2.0815 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 1.5106 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 1.5665 -3.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 -1.8344 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -0.0937 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -1.7219 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 -2.0336 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7975 -1.9687 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 -0.7269 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0198 -0.0535 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 1.7322 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 1.5810 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6093 2.0738 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6463 0.6947 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 0.7970 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 -0.7801 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7569 -0.2616 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7221 1.2308 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1129 -0.3979 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5149 -1.7504 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6686 -0.8987 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4525 0.4582 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7120 -2.5495 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0801 -1.5221 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5285 -1.8903 3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6651 -1.1472 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4754 1.0252 2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8860 0.0344 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2322 -0.0170 3.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5373 1.6460 3.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2983 0.0286 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1081 1.4436 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1904 1.9282 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6097 3.0296 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6681 2.1987 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9599 2.7805 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7904 -0.1292 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1772 0.5239 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2518 -0.4799 -2.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8708 1.2128 -3.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2623 1.7970 -2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0172 0.3651 -3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5943 0.1487 -2.1798 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 46 47 1 0 47 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 32 92 1 0 33 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 55132 1 0 M END