HMDB0262887 RDKit 3D PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/13:0) 110109 0 0 0 0 0 0 0 0999 V2000 16.2070 -0.6622 -1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9154 -0.3397 -2.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7763 -0.9037 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7512 -0.2672 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5861 -0.8460 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5276 -0.2595 1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5332 0.4305 2.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3116 0.6950 1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0764 0.1233 2.2217 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0158 0.7553 3.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8992 0.5411 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 0.4108 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 0.8610 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 0.7259 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 1.1779 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 1.0599 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4728 2.0467 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2962 1.4551 3.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 -0.3361 1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3256 -1.4917 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -1.2610 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -0.6192 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -1.2986 -1.8903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 0.6811 -0.9967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 1.4829 -1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 1.0807 -1.1963 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7565 1.2648 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 0.2652 1.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.4530 2.6385 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9069 1.3257 2.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0026 -1.1074 3.2434 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 1.1419 3.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 -0.1853 -1.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -0.3194 -2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 0.6944 -3.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 -1.6917 -2.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1807 -1.7483 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4812 -1.1631 -3.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3885 -1.6194 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1097 -1.5893 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8576 -0.2719 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9701 0.7257 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2758 0.2678 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2465 1.4002 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6262 1.1927 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8379 0.9393 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2229 -0.2814 2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3079 0.1096 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0902 -1.6470 -1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0175 -0.6503 -2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9584 -0.7753 -3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8167 0.7562 -2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8045 -2.0006 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8313 -0.6106 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 0.8095 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6763 -0.5400 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7095 -0.7764 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7645 -1.9537 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3980 -0.3899 2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5915 0.8266 3.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 0.3675 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1024 1.8120 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 -0.9464 2.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1067 1.0675 3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 1.0016 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -0.0374 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 1.3075 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 0.2732 2.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 1.6299 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 1.4378 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 -0.1874 2.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 1.3037 3.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 0.3709 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.6326 2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 -2.2482 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -2.0727 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -0.7623 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 -2.2827 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 2.5331 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 1.5031 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 1.8269 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 2.2314 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8635 1.2064 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 -1.6559 2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 0.4306 3.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -2.1409 -3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -2.2156 -2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -1.1478 -4.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2373 -2.7756 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3284 -0.0281 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0666 -1.1705 -4.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3981 -1.1026 -2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6876 -2.7034 -2.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3713 -2.3206 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0752 -1.9647 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9469 0.2178 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 -0.4730 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6606 1.6314 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1221 1.0421 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0921 0.1922 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6362 -0.6940 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7912 2.3663 0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3459 1.6394 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2339 2.1255 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0969 0.4084 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5345 1.8054 2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9611 0.8659 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3850 -0.0861 2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0037 -0.7592 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9942 -1.0932 1.4566 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 2 0 16 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 45 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 1 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 1 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 25 79 1 0 25 80 1 0 26 81 1 6 27 82 1 0 27 83 1 0 31 84 1 0 32 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 43101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 47110 1 0 M END