HMDB0265098 RDKit 3D PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/20:3(8Z,11Z,14Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -12.5109 -3.1132 -2.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2024 -1.9680 -1.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4639 -1.2180 -1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6367 0.0337 -1.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5669 0.9468 -2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3685 2.0325 -1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2287 2.2754 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9862 1.5247 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4758 0.8789 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3196 1.1493 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3811 2.0968 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0745 1.7918 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 0.6360 -0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 -0.6032 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -1.7293 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 -3.0601 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 -3.7876 -1.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1976 -3.9082 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0285 -3.4136 2.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 -2.1754 2.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 -2.1850 2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -2.5377 2.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 -1.8626 0.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 -1.8856 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -0.8165 1.4192 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8608 0.5324 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 1.5109 1.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0047 3.0240 1.3778 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2066 2.8863 0.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 3.8760 2.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 3.8342 0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -0.7346 1.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -0.7705 2.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.8809 3.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 -0.6932 2.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 0.7592 2.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 0.8081 2.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 2.2098 3.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 3.1581 1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 2.6721 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 3.5416 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6368 4.1597 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0909 4.0462 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8367 3.4641 -2.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5473 2.3738 -1.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6571 1.6130 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 0.2396 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8516 -0.8145 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2319 -0.8148 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1903 -1.5131 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 -2.9682 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7940 -3.5977 -2.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2077 -3.5066 -1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0424 -3.8964 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5689 -3.5036 -3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2002 -2.7420 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3724 -1.4204 -2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9074 -2.4866 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3598 -1.7546 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6372 0.4861 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6924 0.3896 -2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0544 1.3691 -3.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2560 2.6778 -1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2104 3.1190 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0895 0.7136 -1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 2.1885 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1407 0.1225 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0839 0.6123 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8258 2.8670 -0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1733 2.8353 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 2.6991 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 0.6073 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1179 -0.7842 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 -1.6854 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0256 -2.9452 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4995 -3.2594 -2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 -4.8731 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -4.2819 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6156 -4.2342 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 -3.2649 2.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 -2.0206 3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 -1.2671 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 -1.6941 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -2.8768 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5479 -0.9214 2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 0.7206 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 0.4443 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 3.5264 3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 3.4212 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 -1.2502 3.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9026 -1.0331 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4345 1.3450 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 1.1381 3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 0.3080 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5832 0.2209 3.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 2.2544 3.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2499 2.5977 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 3.1960 1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 4.1594 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 1.7096 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 2.3527 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6815 3.7283 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 4.7912 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4366 5.1523 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 3.7111 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8052 3.9763 -3.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 1.9769 -2.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 1.5322 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2207 2.0942 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0489 0.1177 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 -1.8071 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -1.5134 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 0.0805 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1877 -1.5042 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2714 -1.0166 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8994 -3.4909 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7971 -3.0968 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7996 -3.1045 -3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 -4.6748 -2.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6582 -2.5617 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1293 -3.3835 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7613 -4.4106 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 31 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 M END