HMDB0264243 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/18:3(9Z,12Z,15Z)) 121120 0 0 0 0 0 0 0 0999 V2000 13.7137 3.7936 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1692 2.7468 -1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 1.5723 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6793 0.3687 -0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 -0.0187 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 -0.6987 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 -0.4085 1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2088 0.6619 2.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7595 1.7016 1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 1.9554 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3804 1.1179 1.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 1.8559 2.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 1.1047 2.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 0.2593 2.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 -1.0009 1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -1.2462 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -0.5275 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 -1.0169 -1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -1.8833 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -0.5763 -0.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 -1.1214 -1.2069 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0996 -0.1510 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -0.8458 -1.9972 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 -0.2657 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3653 0.9557 -2.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3177 -1.1050 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -2.3564 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -2.1494 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 -1.4840 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -1.3780 0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2621 -2.4515 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 -3.7229 -0.6743 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7283 -2.1777 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5078 -3.2092 -1.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4233 -2.9152 -2.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8341 -1.5353 -2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2846 -1.3730 -2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7303 -0.4888 -1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9388 0.4869 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2006 0.1796 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7563 0.9845 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2107 2.3432 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7173 2.4729 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1753 3.8642 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6807 3.9262 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2258 5.2967 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 -2.0891 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -2.6926 -0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 -3.7272 0.8219 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9103 -4.7421 0.3843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 -2.8958 2.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 -4.5616 1.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2056 4.7352 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8142 3.8359 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5876 3.5607 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2811 3.2717 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1028 2.5720 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0787 1.7307 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3947 -0.4884 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6133 0.7701 -0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0082 -0.8670 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2240 -1.6037 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 -1.1181 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 0.2189 2.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7182 1.1220 3.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5247 2.4135 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 2.7923 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6023 0.1503 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8962 0.9190 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 2.5146 3.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 2.6561 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6801 1.8278 3.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 0.4171 3.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.9657 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 0.0639 2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9963 -1.7044 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 -1.5477 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 -1.2841 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 -2.3636 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 -0.8180 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 0.5686 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -1.8038 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 0.2489 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 0.7400 -2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2498 -0.5318 -2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -1.4186 -3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -2.9781 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 -3.0039 -2.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0275 -3.0921 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 -1.5338 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 -0.5102 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3754 -0.4564 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1517 -2.5645 -2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3103 -4.3858 -1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0397 -1.1574 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8325 -2.4217 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3311 -4.2839 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9543 -3.7231 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -0.7354 -2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7714 -1.5627 -4.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0149 -2.0399 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8322 -0.4306 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1729 1.5267 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8348 0.4053 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8913 -0.8240 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9092 0.6492 2.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9619 2.7025 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7001 3.0400 1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2744 1.7831 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9566 2.1921 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9583 4.0483 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6773 4.6105 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1178 3.1675 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9303 3.5901 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2471 5.8761 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2558 5.1503 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5556 5.7860 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 -2.8900 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 -1.5088 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 -2.9235 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 -4.8803 0.5062 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 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 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 6 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 30 92 1 0 31 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 51120 1 0 52121 1 0 M END