HMDB0266838 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/a-13:0) 112111 0 0 0 0 0 0 0 0999 V2000 -11.1863 3.5623 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3706 3.0626 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4818 2.0581 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8731 1.4463 -2.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9005 0.6192 -2.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6619 1.2265 -3.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4496 0.8314 -2.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1333 -0.3242 -2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3344 0.1501 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1213 -0.3003 -0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4653 -1.2826 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -2.6071 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -3.1849 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9943 -2.5788 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1606 -2.4861 2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7926 -3.7941 2.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8453 -1.7735 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2715 -2.5307 1.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9857 -1.6710 3.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 -1.0104 3.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -1.6664 2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 -0.9899 2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 -0.0651 1.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5725 -1.3953 2.9842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 -0.9639 3.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7295 -1.0883 1.8916 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6091 -2.5439 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -2.6716 0.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 -4.2549 -0.3260 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2517 -4.5944 -1.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -4.3819 -1.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 -5.3485 0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.7191 2.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 0.2526 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 0.8957 0.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1681 0.5792 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0805 -0.3875 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -0.3831 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 0.9169 -1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7222 1.3464 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7142 0.3586 -1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1259 0.8005 -1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3766 2.1199 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8055 2.5910 -1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0890 2.7716 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0518 3.8783 -2.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1335 4.9852 -1.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1850 3.9546 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4170 4.3681 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8468 2.7426 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4049 2.6762 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6838 3.9438 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2410 1.3054 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3845 2.6304 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7689 0.7792 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3231 2.2569 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5124 0.3074 -3.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7427 -0.3705 -2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7447 2.1053 -3.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6242 1.4238 -3.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1307 -0.7076 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7196 -1.1691 -2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8041 0.9074 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5916 0.1403 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4273 -0.8095 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -1.3449 -2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -3.2683 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9166 -4.2439 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5906 -1.7206 1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8275 -3.3695 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6425 -1.9750 3.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -3.7973 3.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1284 -0.7723 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -3.3879 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -1.0452 4.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 -2.7026 3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 0.0422 2.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 -0.8108 4.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -2.7444 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 -1.6137 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 0.0901 3.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -1.5475 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 -0.4097 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5591 -2.8514 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 -3.1743 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9437 -4.6197 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 -5.1675 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4045 1.6438 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3349 0.4340 2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -1.4088 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1009 -0.1997 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5944 -1.1763 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 -0.7153 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 1.7462 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2189 0.7237 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9221 1.5831 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 2.2943 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -0.6891 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.2743 -2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8073 0.0098 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3096 0.9588 -0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7306 2.8992 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 2.1044 -2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4779 1.8191 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2174 3.2514 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2286 1.7892 0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9573 3.4495 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 3.7209 -3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1100 4.1937 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6523 5.9530 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6815 4.7608 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 5.0750 -2.6871 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 1 0 15 17 1 0 17 18 1 0 17 19 1 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 25 81 1 0 25 82 1 0 26 83 1 6 27 84 1 0 27 85 1 0 31 86 1 0 32 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 45105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 47112 1 0 M END