HMDB0268464 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-24:0) 142141 0 0 0 0 0 0 0 0999 V2000 17.1640 -3.1872 -1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9527 -3.3597 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2525 -2.4671 0.6104 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5001 -2.9024 1.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2687 -2.5062 1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8720 -2.0791 1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1562 -2.8389 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 -2.3951 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5194 -1.0677 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1503 0.0724 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5569 1.1461 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0871 1.3089 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6325 1.4858 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 2.5943 1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6837 3.7112 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2981 4.0428 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2305 3.4159 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0482 2.2276 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 2.4547 2.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7659 2.8974 2.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 1.8309 1.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 1.9140 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 0.7974 2.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 -0.2560 1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -0.0481 0.5084 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0661 0.4935 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.1523 -1.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 0.6795 -3.3239 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0705 0.9699 -4.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 1.9969 -3.3999 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.6029 -4.2164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5419 0.5309 1.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -0.1358 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 -1.3372 0.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 0.3742 1.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -0.5345 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 -0.6520 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 0.6983 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.7447 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 -0.1182 -2.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -0.0363 -2.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9428 1.2416 -2.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4028 1.3560 -2.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3580 0.6257 -3.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3836 -0.8038 -3.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6353 -1.8913 -2.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0613 -2.2128 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4727 -1.7796 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6965 -0.4768 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8218 0.3587 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1632 -0.3414 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4935 -0.6752 1.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8105 -1.3612 1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0220 -0.6237 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3856 0.6108 2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6330 0.3456 3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5309 1.8094 2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2981 -4.1325 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9993 -2.2983 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0765 -3.0547 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0552 -3.1905 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9339 -4.4360 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3904 -1.4026 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3852 -3.8793 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2699 -3.5714 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7174 -1.9157 2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8265 -0.9771 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3596 -2.2738 2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0765 -3.9376 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0946 -3.2121 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4527 -0.8179 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0085 -1.1543 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2710 0.1198 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 1.9375 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 0.3747 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7784 2.1391 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 0.6763 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 2.6191 2.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 3.7919 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0756 4.6698 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 4.9969 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 3.8944 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 1.4739 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9111 1.6682 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 1.4623 3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 3.2336 3.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 3.0920 3.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8547 3.8131 1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 -0.9653 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -0.9378 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 -1.1411 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 0.0856 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.6192 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 1.7931 -3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -0.6096 -5.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 1.4395 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 0.3156 2.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 -1.5378 1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 -0.1369 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 -1.3521 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3976 -1.0633 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 1.3931 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5173 1.0805 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 0.4097 -2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 1.8154 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 -1.1908 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6935 -0.0474 -3.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7681 -0.8946 -2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 -0.2701 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 1.7223 -3.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 1.9843 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5903 1.2190 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6501 2.4845 -2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3670 1.1176 -4.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4003 0.9831 -2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2963 -0.9959 -4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 -1.1161 -4.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8034 -1.8974 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6558 -2.8913 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8910 -2.1165 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0698 -3.3938 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6829 -2.2841 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3707 -2.4910 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8639 -0.5597 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7509 0.1246 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7812 0.7971 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9041 1.2335 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9348 0.3067 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1880 -1.2694 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3429 0.2067 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7164 -1.4079 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7369 -2.2954 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8681 -1.7332 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9115 -1.3259 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9720 -0.4176 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4218 0.9038 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4807 -0.3847 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9458 1.2704 4.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7415 -0.0975 4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0976 1.9316 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8066 1.9682 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2266 2.7132 2.1534 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 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 55 56 1 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 6 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 1 0 M END