HMDB0268109 RDKit 3D PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-19:0) 127126 0 0 0 0 0 0 0 0999 V2000 19.2117 -3.2928 -2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0235 -2.4555 -2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7615 -2.9281 -2.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0014 -2.1956 -1.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3234 -0.8134 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4157 -0.8389 0.3764 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7266 0.4873 0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0967 -1.1448 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 -0.3862 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7503 -0.6405 1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 0.1180 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.1525 1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3068 0.5652 1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3438 1.6923 0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 2.4945 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 2.3674 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9216 1.8062 1.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 1.9398 -0.3306 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8824 0.6021 -0.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 2.6862 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1081 2.4886 1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 1.1241 1.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 0.7040 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 1.4020 -0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -0.5044 0.9941 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -1.0559 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3988 -0.1447 0.4700 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6436 -0.0838 1.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 0.7900 2.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 0.9097 3.9023 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0499 1.9709 4.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 -0.5797 4.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 1.3547 4.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 -0.5818 -0.1322 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2869 0.1558 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7593 1.2879 -1.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 -0.1978 -1.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 -1.2435 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -0.7337 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4358 0.5164 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8476 0.4760 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6408 -0.4941 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0447 -0.7697 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0454 0.3110 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9616 1.3078 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9630 2.4172 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3896 2.0448 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9529 1.3412 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4457 1.1025 -1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7729 0.2343 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2677 -1.1549 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7896 -2.0714 -1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0956 -3.4213 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6031 -1.7082 -2.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9502 -4.0737 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7546 -3.7586 -3.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9535 -2.5647 -2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2132 -1.3831 -2.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9381 -2.6954 -4.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3944 -3.9657 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0489 -2.6580 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2711 -0.4719 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5083 -0.1209 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2229 -1.4868 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0914 1.1367 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9592 -1.9802 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 0.4489 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6231 -1.4537 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8996 0.9178 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -0.9888 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3811 0.2830 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3119 1.9127 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 3.3137 -0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 3.5013 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 2.3435 2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3346 2.3800 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 0.3248 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 2.5818 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9912 3.7826 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 3.2576 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8468 2.7718 2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 0.3950 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 1.1497 2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5471 -2.0280 0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 -1.2223 -0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 0.8636 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -1.1124 2.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 0.1349 2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -0.8688 3.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 1.8281 5.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 0.7090 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4118 -0.5782 -2.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8332 -2.1971 -0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2994 -1.3777 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -0.5592 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -1.5969 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5715 0.7838 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 1.3473 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8832 0.3732 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2299 1.5139 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -1.5031 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5103 -0.2145 1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3737 -1.6157 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0578 -1.2700 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0926 0.8575 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0822 -0.1559 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2969 0.7664 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9944 1.7479 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8207 3.1220 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7104 2.9294 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9785 3.0073 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6378 1.4916 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7783 1.9174 -2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4323 0.3664 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9005 0.7892 -2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8853 2.1382 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3921 0.7167 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9096 0.2336 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1428 -1.1620 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4623 -1.6655 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8898 -2.2966 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7587 -4.2123 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9636 -3.5811 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1224 -3.3486 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5458 -1.2597 -3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7166 -1.1257 -3.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4920 -2.6900 -3.4656 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 1 17 75 1 0 18 76 1 6 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 6 28 87 1 0 28 88 1 0 32 89 1 0 33 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 54127 1 0 M END