HMDB0265011 RDKit 3D PA(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 127126 0 0 0 0 0 0 0 0999 V2000 16.3879 -1.1298 -2.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0481 -0.6458 -1.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0932 0.7717 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8934 1.2298 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6062 0.3773 0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2492 0.7111 1.4944 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1032 -0.1720 2.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1336 0.5155 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 0.1079 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8334 -0.0928 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6754 -0.4932 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 -0.7668 1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 -1.1861 2.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 -1.4924 3.6975 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8905 -2.1501 4.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -2.3815 3.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -2.1609 3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 -1.1554 2.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 0.1163 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 0.6130 1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 0.0872 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 -1.2433 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 -1.0607 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 -0.2597 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.0815 0.7202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 0.1552 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8357 0.9018 -0.7430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1267 0.2388 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 0.8768 -0.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 1.1120 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 0.7149 1.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9784 1.8211 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 2.4601 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1082 1.5627 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1242 0.6337 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0112 -0.6628 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 -1.4910 -1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1665 -2.3670 -2.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1732 -2.5739 -3.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4917 -1.9321 -3.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5441 -2.9903 -3.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3972 -2.9960 -2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5179 -2.0109 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3060 -2.6413 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4345 -1.5867 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7659 -0.9152 1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8285 0.1205 2.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7695 1.1745 2.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8525 1.9356 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1474 2.6553 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 2.3271 -1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 2.3097 -2.7047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 3.9044 -3.2879 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5000 4.5528 -2.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 3.8768 -4.9569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 4.7859 -2.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6176 -0.5922 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2242 -0.9500 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3411 -2.2059 -2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 -0.7474 -2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7754 -1.3524 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3107 1.4800 -2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9481 2.3257 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7278 -0.6899 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 0.6802 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3341 1.7545 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4930 0.1852 3.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 0.6929 -0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -0.0642 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9885 0.1061 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8939 -0.6140 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1135 -0.6567 2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 -1.3039 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 -0.5660 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 -2.4432 3.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6661 -2.7380 4.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -3.4022 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -3.0589 3.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -1.2956 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 0.4637 3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 0.8980 2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 1.6766 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 0.7060 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 -1.7550 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -1.8742 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -2.1004 -1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -0.6257 -2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 1.0505 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1672 -0.8052 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 0.0526 -2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 1.1059 1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7555 2.6307 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9659 3.2369 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5317 3.0390 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6083 2.2210 -2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 1.1039 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 1.1155 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8764 -1.2026 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 -2.1307 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0535 -0.8267 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2448 -3.0112 -2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0925 -3.3465 -4.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6053 -1.0804 -2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6887 -1.5920 -4.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5849 -3.8091 -3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1186 -3.8415 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0419 -1.0464 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6385 -1.7406 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3643 -3.1805 0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1427 -3.3591 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6242 -0.8483 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2960 -2.0544 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5864 -1.6444 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9845 -0.3700 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8101 0.6462 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7083 -0.3444 3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9376 1.9009 3.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7466 0.7524 2.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0289 2.6670 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6690 1.2578 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9414 3.5858 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9073 2.1044 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5721 2.8696 1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 2.7537 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 2.9131 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 3.0064 -5.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9796 5.7443 -2.7913 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 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 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 1 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 1 28 89 1 0 28 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 55126 1 0 56127 1 0 M END