HMDB0263137 RDKit 3D PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/14:1(9Z)) 112111 0 0 0 0 0 0 0 0999 V2000 -17.3425 -0.5052 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4612 -0.0920 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8365 -1.3336 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5655 -1.6184 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5577 -0.6281 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7462 -1.1704 1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4848 -1.3687 1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5368 -1.1515 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8803 -0.6776 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4845 0.4138 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6187 1.4477 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0598 1.4750 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7821 1.4384 0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7566 1.3586 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4732 1.3233 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 1.3624 1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 2.6434 2.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 0.6687 1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 1.3277 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 0.6901 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -0.7309 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -1.3780 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -0.7664 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 -1.3769 -1.9241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 0.4509 -0.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 0.9948 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 0.0839 -1.3039 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6035 0.2339 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 1.5824 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4858 1.7873 1.9377 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3468 2.3125 2.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 2.9542 1.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 0.3162 2.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 0.5154 -2.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -0.4113 -2.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 -1.5842 -2.9158 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9975 -0.0366 -3.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 -0.2145 -2.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2861 -1.6371 -2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 -1.9372 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4006 -1.0845 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4977 -1.3336 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8944 -1.0961 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 0.2831 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9215 1.1102 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8410 0.7193 1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3140 0.8351 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6309 -0.0460 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 0.0660 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3654 -0.7001 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4030 0.3014 2.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9798 -1.4652 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8517 0.7709 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2281 0.2793 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5198 -2.1105 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1730 -2.5799 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0553 -0.0626 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1738 0.1882 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2607 -1.4272 2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9881 -1.7904 2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5742 -0.7178 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1024 -2.2630 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5670 -1.3592 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8895 0.5713 -2.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 1.5947 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1661 2.4748 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7514 1.5553 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5110 1.4820 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9218 1.3211 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 1.2623 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7465 0.7487 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 2.5879 2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8391 -0.4007 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.9099 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 2.3954 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 1.3102 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 -1.2501 0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.8640 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -1.2184 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 -2.4687 -0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 1.1154 -2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 1.9742 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 -0.9826 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7813 -0.0649 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 -0.4359 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8206 3.3337 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 -0.4183 2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8851 0.9855 -4.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 -0.7853 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 0.5216 -2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1397 0.0815 -3.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2199 -2.3294 -3.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -1.8332 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -3.0003 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3982 -1.7799 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 0.0076 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -1.3169 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3896 -2.3785 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3032 -0.6826 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5804 -1.4824 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -1.7738 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3878 0.6632 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9823 2.1577 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7296 1.5589 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6111 -0.1743 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5333 1.8947 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9143 0.4504 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0364 0.3254 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4095 -1.1021 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7283 0.1381 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3705 -0.8674 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2635 0.9088 -1.3396 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 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 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 6 28 84 1 0 28 85 1 0 32 86 1 0 33 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 45103 1 0 46104 1 0 46105 1 0 47106 1 0 47107 1 0 48108 1 0 48109 1 0 49110 1 0 49111 1 0 49112 1 0 M END