HMDB0115149 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)/18:0) 123122 0 0 0 0 0 0 0 0999 V2000 13.9163 -3.4968 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3123 -2.3219 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 -1.0624 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5469 0.1354 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 0.4105 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5274 1.5679 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4495 1.5678 -2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7003 0.3793 -2.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3485 0.1215 -1.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5221 0.8111 -1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8156 2.1337 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 1.9251 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6591 2.6147 1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8044 3.6346 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3617 3.2288 0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 3.0836 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.2861 -1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 2.1952 -2.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 1.3488 -2.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 0.4430 -1.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -0.3680 -1.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 0.3811 -0.3487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -0.3902 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -0.3117 1.3642 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1688 -1.3752 2.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 -1.2487 3.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -2.3011 4.3155 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5286 -2.0606 5.4707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 -2.0731 4.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -3.9199 3.8525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 -0.6978 0.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 -0.1363 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 0.8570 0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 -0.7413 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 -2.1220 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9732 -2.2676 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -1.6363 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0664 -1.8216 2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4523 -1.3526 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5617 -2.0049 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5385 -2.0370 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4775 -0.7147 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6685 0.1858 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9561 -0.4365 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1191 0.5058 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4230 -0.1302 -0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5666 0.7853 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4065 2.0740 -1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5986 2.9948 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8502 2.2730 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 -3.1524 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2364 -4.3669 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8862 -3.7483 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 -2.2346 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 -2.5947 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2029 -0.8787 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1462 -1.3011 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6317 0.0542 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1986 1.0045 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2245 0.6173 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4816 -0.4572 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0389 2.5370 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1576 2.5323 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3509 -0.5622 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 0.3897 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8835 -0.8788 -2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 0.4002 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 2.9019 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 2.5189 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 1.1725 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 2.4215 2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8715 4.5564 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 4.0370 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 3.0420 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 2.8225 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 3.8244 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 4.0696 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 2.6712 -3.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 1.4858 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 0.6478 -3.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 1.8941 -3.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 -0.1173 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 -1.4638 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.6427 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 -2.3748 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -1.1315 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.1073 4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 -4.5122 4.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -0.1013 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 -0.7944 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -2.6967 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -2.6491 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -3.3468 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -1.8587 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9045 -1.9556 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -0.5225 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4417 -1.3970 3.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -2.9306 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -0.2404 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6814 -1.3000 3.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 -3.0572 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4991 -1.3960 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5341 -2.5380 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8048 -2.7260 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5799 -0.1562 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4621 -0.9020 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4915 1.1275 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6675 0.4598 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9352 -0.6003 -1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1534 -1.4266 -0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9148 1.4221 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1737 0.7536 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5236 -1.1013 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3369 -0.3508 -1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5959 0.9521 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5021 0.2661 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5254 2.6311 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3368 1.8514 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6803 3.1325 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4840 3.9078 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5741 1.4258 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3883 1.7881 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5038 2.9855 -1.9987 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 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 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 1 25 85 1 0 25 86 1 0 29 87 1 0 30 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 50123 1 0 M END