HMDB0267334 RDKit 3D PA(20:4(5Z,8Z,10E,14Z)-OH(12S)/i-12:0) 106105 0 0 0 0 0 0 0 0999 V2000 -10.2192 1.2092 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5491 1.0104 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5912 0.9868 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6095 -0.0593 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2159 -1.4799 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2031 -1.9801 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0899 -2.5789 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6621 -2.8548 -2.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3113 -2.2770 -2.3882 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9449 -2.5903 -3.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2861 -0.8257 -2.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -0.2699 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3617 1.1640 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5507 1.8261 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 1.1557 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1628 1.6150 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 2.2078 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 2.4530 2.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 1.7993 3.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7323 2.0018 3.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 1.3652 2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 0.5485 1.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 1.6095 2.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 1.0601 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 -0.4651 1.7294 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7668 -0.8229 3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -2.2020 3.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -2.6312 4.8611 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3992 -1.7466 5.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 -2.5594 5.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8227 -4.2528 4.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -0.9439 0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 -1.7750 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 -2.1717 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -2.2753 -1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -1.8092 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 -0.3341 -0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 0.0952 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 -0.4822 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5497 -0.0704 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 1.3974 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9357 2.0381 -0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1733 1.7100 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5531 0.2732 -1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2161 2.2274 -2.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 0.2628 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7279 2.0397 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3057 1.4453 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9224 0.1221 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9178 1.9429 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0686 2.0069 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0520 0.8813 -2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4058 0.1529 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2132 0.0863 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1934 -2.0710 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0197 -1.7039 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4274 -1.8305 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4365 -2.8889 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3508 -2.4103 -2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6060 -3.9735 -2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -2.7556 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -3.5201 -3.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9712 -0.1876 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -0.9625 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1057 1.7397 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 2.9189 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8211 1.1986 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5596 0.0532 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7709 1.4570 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4058 2.5525 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 2.4703 2.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 3.6001 2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 0.6685 3.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 2.0092 4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 1.4993 4.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4736 3.1010 3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 1.2880 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 1.3968 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -0.8972 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6928 -0.3151 3.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 -0.4858 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -3.0371 5.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 -4.4233 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1484 -3.3879 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -2.0284 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 -2.1163 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -2.2928 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 0.0818 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 0.1812 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3265 -0.2518 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 1.2125 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 -1.5896 -1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 -0.1877 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1797 -0.6203 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7463 -0.4922 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 1.8171 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 1.7660 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7735 3.1601 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1197 1.9472 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0078 2.2819 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6711 0.1548 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 -0.2279 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4383 -0.3044 -2.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1614 3.3346 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3693 1.8640 -3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2039 1.9716 -3.3095 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 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 1 10 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 6 26 80 1 0 26 81 1 0 30 82 1 0 31 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 44101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 45106 1 0 M END