HMDB0268227 RDKit 3D PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-20:0) 133132 0 0 0 0 0 0 0 0999 V2000 19.3077 -2.5846 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4266 -1.5359 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0825 -0.5417 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8446 -0.2778 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6971 -0.9419 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9394 -1.6618 -0.7256 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7452 -2.6066 -1.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7806 -2.4048 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7018 -1.6895 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5468 -2.3594 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4756 -1.7354 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3326 -0.2966 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 0.3141 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 1.7924 1.1823 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6317 2.3570 0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 2.0435 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 3.4413 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3656 3.8990 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 3.1376 -1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3415 3.1486 -1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 2.0425 -1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 0.6936 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 -0.2145 -2.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 -0.4069 -2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 0.3291 -2.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -1.4414 -1.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.8056 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 -0.6840 -0.6775 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1655 -0.0226 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 1.1278 0.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 1.8964 2.1249 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5325 1.3068 3.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 1.6876 2.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 3.5596 2.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -1.0660 -0.4718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 -0.5485 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 0.3360 -1.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 -1.1063 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -0.4772 -1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 0.9656 -1.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 1.6075 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9092 1.3584 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2275 0.1510 1.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5066 -1.1553 0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6358 -1.2919 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0111 -0.9341 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3634 -1.7595 1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6683 -1.7195 2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2728 -0.5402 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5872 0.5615 1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5753 0.0600 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8709 1.1919 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8655 0.9229 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5804 -0.1448 -2.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4384 -1.5351 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3215 0.2628 -2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1936 -2.1152 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7328 -3.1120 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5623 -3.3483 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6355 -2.0982 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1249 -1.0522 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9211 0.0047 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6741 0.4940 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9788 -0.1056 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8252 -1.5307 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5514 -0.9123 -1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -3.1755 -1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7367 -3.4595 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6821 -0.6231 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5878 -3.4620 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6181 -2.2918 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0862 0.3637 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4197 -0.3336 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 2.2362 2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2182 3.0930 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 1.4776 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 1.5361 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 4.1398 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 4.9864 0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 2.1624 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2027 3.7524 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 4.0931 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 2.1215 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 0.1876 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2365 0.5775 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 0.1695 -3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -1.2228 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 -2.1783 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -2.6504 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 0.1096 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 -0.6522 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 0.3719 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 2.5477 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 4.0424 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2842 -0.9961 0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -2.2056 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2099 -1.0842 -1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8881 -0.5897 -2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 1.5228 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3786 1.2129 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8302 1.5723 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7318 2.7545 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8659 1.7417 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9029 2.2042 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3816 -0.0275 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1296 0.4035 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8166 -1.8218 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 -1.7508 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4502 -0.7315 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6565 -2.3734 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9164 0.1604 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7108 -1.0238 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5677 -1.6137 2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1627 -2.8410 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4703 -2.2033 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6482 -2.5186 3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7728 -0.1779 3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2907 -0.8731 3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7822 1.0603 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1704 1.3411 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4551 -0.3485 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0441 -0.7899 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2060 2.0502 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8880 1.5465 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8915 0.6798 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0770 1.8753 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4372 -0.1480 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9174 -1.7190 -0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0182 -2.2472 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4082 -1.9521 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5522 0.1948 -3.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5188 -0.4437 -2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0288 1.3112 -2.6362 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 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 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 54 55 1 0 54 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 6 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 1 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 6 29 91 1 0 29 92 1 0 33 93 1 0 34 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 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 55128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 56133 1 0 M END