HMDB0264529 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/19:2(10Z,13Z)) 123122 0 0 0 0 0 0 0 0999 V2000 13.2882 -2.2798 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2923 -1.4815 1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2485 -0.0276 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1724 0.7481 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7623 0.7529 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9550 -0.4402 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2789 -1.0575 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -0.5554 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -0.0727 -1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 0.0425 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3751 -0.2914 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7849 0.9498 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 1.5946 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 2.7707 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 2.3886 1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 1.4923 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.0615 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 0.1562 2.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.0156 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 2.1088 1.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 0.6215 0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 1.3590 -0.9728 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2625 0.5908 -1.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 0.1359 -0.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3783 -0.7748 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 -1.3391 0.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 -1.0728 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4573 -2.1625 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 -1.7502 -1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5118 -0.4990 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6634 -0.3369 -2.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5333 -1.2238 -2.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2238 -2.5851 -3.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8599 -3.6510 -2.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0345 -3.5554 -1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7710 -4.3097 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7517 -3.7535 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9756 -2.3296 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9451 -1.8579 2.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1444 -0.4830 2.6507 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8287 -0.4745 3.8689 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9172 0.3923 1.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2834 -0.1112 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0818 0.6566 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3965 2.0813 0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2240 2.9958 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 1.6872 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 2.4327 -3.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 2.8334 -4.2151 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9158 2.7054 -3.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 4.4839 -4.6043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 1.9521 -5.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5104 -2.7431 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7947 -3.2093 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8671 -1.7562 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3154 -1.8225 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2702 -1.8543 2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2349 0.3783 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3526 0.2975 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2203 0.5679 2.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4905 1.8853 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7101 1.2556 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1845 1.5364 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8719 -0.9194 2.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7559 -1.9869 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 0.1179 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6445 -1.4825 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 0.2689 -2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 0.4546 -1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -0.9126 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 -0.8786 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 0.5560 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5463 1.6992 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2281 1.9840 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.8900 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 3.5101 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 3.3546 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.9173 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 3.3656 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 1.9286 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 0.5569 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 0.4390 3.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0215 1.9417 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -0.0156 3.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 -0.7822 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 2.3199 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 1.1770 -2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 -0.2998 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 -0.1982 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -1.4710 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 -2.2918 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 -3.0930 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 -2.6367 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -1.5598 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0126 0.3916 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0628 0.7306 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6687 -0.7202 -3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5963 -1.0720 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3859 -2.7878 -3.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5395 -4.6648 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3438 -2.5491 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8952 -4.0830 -2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5858 -5.3798 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5529 -4.4258 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1582 -1.6133 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 -2.6024 3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1574 0.0156 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6573 -0.9832 3.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3266 0.5089 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9736 1.3735 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3076 -1.1939 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8408 -0.1175 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0623 0.0877 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5876 0.5701 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9458 2.1544 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0943 2.4794 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5010 3.9854 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3044 2.6219 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0702 3.3393 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 2.1332 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 0.6977 -2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 4.9772 -3.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 2.1045 -6.0321 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 22 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 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 1 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 51122 1 0 52123 1 0 M END