HMDB0265979 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 126125 0 0 0 0 0 0 0 0999 V2000 15.8451 3.4842 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0162 2.2317 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0266 2.0636 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2164 0.8220 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4330 0.8859 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5296 2.0414 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2362 2.0777 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 0.8212 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5266 0.7714 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -0.1519 -1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3031 -1.3118 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7549 -2.6507 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5543 -3.0869 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2811 -2.3722 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 -2.8315 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2524 -2.0660 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -0.6550 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4196 0.3048 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1385 0.2040 1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 -1.0225 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -0.7785 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 0.3086 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 0.6580 1.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 0.9899 -0.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 2.0226 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 1.4586 0.2280 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0252 0.5386 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -0.4553 -1.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -1.4456 -2.2197 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1950 -2.5996 -2.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 -2.1193 -1.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.5790 -3.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 2.4364 0.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5364 2.5197 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 1.6204 2.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 3.5005 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6634 2.9954 3.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6896 2.3221 2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3125 1.1148 1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8824 -0.0363 1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9738 -0.2732 2.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4726 -1.3542 3.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1204 -2.4728 3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3961 -2.8480 3.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1419 -4.0713 2.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3387 -4.2638 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8514 -3.4181 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 -2.0653 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7159 -1.0502 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6169 -1.1866 -1.2828 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7266 -0.1317 -1.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 -1.2581 -2.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0254 -0.0565 -2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3036 1.2599 -2.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2684 2.3988 -3.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1028 4.2594 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2469 3.8223 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5940 3.3394 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6781 1.3521 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5189 2.4040 0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 1.9623 -2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3976 2.9688 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5406 0.6469 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8608 -0.0887 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1281 1.0216 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9936 -0.0970 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0249 3.0277 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 3.0286 0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7683 0.9905 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0969 -0.0131 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8121 1.6126 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 -0.0229 -2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8927 -1.2313 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 -1.2596 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5365 -3.4827 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 -4.2313 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -1.3126 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6035 -2.6908 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3222 -3.9189 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 -2.5778 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 -0.2677 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -0.5649 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 1.3714 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 1.1410 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -1.9294 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 -1.1625 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.5171 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 -1.7355 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 2.7656 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 2.4589 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 0.8577 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 1.0800 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 -0.0066 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 -1.4360 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6389 -0.6622 -3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 4.0228 3.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6408 4.2839 1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3611 2.3382 4.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1951 3.8611 3.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9051 3.0908 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7015 2.3151 2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5116 1.2197 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5336 -0.8988 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8649 -0.4831 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0903 0.6247 3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5456 -1.2393 4.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7227 -3.2827 4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7947 -1.9966 2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0737 -3.1081 4.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -4.9676 3.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0589 -5.3230 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8046 -3.9817 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1939 -3.5626 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1323 -1.8281 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1377 -0.0524 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9744 -2.0917 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0872 -0.2059 -1.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8961 -2.1490 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3872 -1.3955 -3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8476 0.0569 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6081 -0.1807 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9175 1.4893 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5083 1.2526 -3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8721 3.3616 -2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2746 2.4641 -4.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2579 2.2240 -2.9078 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 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 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 1 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 55126 1 0 M END