HMDB0264757 RDKit 3D PA(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:1(11Z)) 129128 0 0 0 0 0 0 0 0999 V2000 16.3053 -3.6244 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2385 -2.3275 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9480 -1.1992 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5996 -1.2712 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6046 -0.1214 1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4973 0.0975 2.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7493 1.2350 2.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9812 2.3201 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6078 2.5427 0.4496 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7283 3.4280 -0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9705 1.3201 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5329 0.2219 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 -1.0387 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6772 -1.1368 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9719 -2.3710 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 -2.6746 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 -1.6467 -0.2150 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7868 -0.7275 -1.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -2.2769 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -1.1436 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 -0.0440 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 0.9791 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 1.9460 0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 0.7047 -1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 1.5396 -1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 1.3884 -1.3646 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6342 -0.0480 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7984 -0.0468 0.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 -1.5803 0.8296 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7917 -2.0688 2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -2.6437 -0.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1209 -1.4466 1.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 1.9549 -1.8027 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 2.7151 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 2.9033 0.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4692 3.4788 -1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 2.4984 -0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 2.0669 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8781 1.2468 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9282 1.9273 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9137 2.7650 1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9061 2.0333 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8148 3.1065 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9069 2.4202 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5542 1.5686 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6792 0.2622 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1726 -0.5310 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1289 -1.2080 -1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1363 -2.1599 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3491 -2.1173 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2064 -2.0112 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4613 -2.2185 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5217 -1.2120 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1514 -0.9224 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5255 -4.4691 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4621 -3.7698 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2622 -3.6023 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6873 -2.3731 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3385 -2.1878 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7392 -1.1956 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0650 -0.2698 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8349 -1.0913 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3594 -2.2346 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9808 0.7560 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4668 -0.4279 2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2191 -0.6715 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9734 1.3226 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3432 3.2240 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6404 1.9339 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0834 3.1608 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7165 3.5883 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8534 1.4787 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 -0.0440 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 -1.9052 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 -0.2729 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7148 -3.2799 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4613 -3.7137 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8596 -1.1053 0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -1.0749 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 -2.8423 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 -3.0180 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -0.7881 -1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 -1.6336 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 0.4548 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -0.4711 1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 1.1711 -3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 2.6076 -2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 1.8344 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.8147 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.1845 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -2.8534 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -0.8014 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 4.3741 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7473 3.6078 -2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4916 2.8426 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4477 1.5544 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 2.8856 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 1.4304 0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 0.4536 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 0.6678 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5729 1.0276 2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5348 2.3750 3.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5049 3.6769 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5566 3.2302 2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4892 1.3847 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 1.3715 1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2678 3.6056 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2484 3.7713 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3559 1.9587 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5610 3.2670 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0029 2.0495 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0939 -0.2274 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3699 0.0246 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5466 -1.4121 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4099 -1.7729 -2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5365 -0.4293 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5407 -2.6184 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5416 -3.1279 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9251 -1.1710 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0336 -2.9502 -0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0577 -0.8468 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3017 -2.4816 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0792 -2.2855 2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8138 -3.2446 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3823 -1.5880 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1797 -0.2340 1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9975 -1.7151 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2558 -0.8002 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7103 0.0567 -0.1539 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 2 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 53 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 1 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 1 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 31 91 1 0 32 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 M END