HMDB0264685 RDKit 3D PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:0) 133132 0 0 0 0 0 0 0 0999 V2000 2.2394 1.3586 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 -0.1284 2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.2973 1.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 -0.8550 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.3864 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -2.8757 -0.2700 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4432 -3.4147 0.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 -3.5790 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -3.5286 -1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -4.2741 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -4.2620 -3.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -3.4943 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 -4.4556 -5.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -4.5901 -5.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -3.7514 -5.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -3.9111 -6.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -3.1122 -6.0668 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7793 -2.4336 -7.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3898 -2.1965 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -1.1488 -4.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -0.7671 -5.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 0.5093 -6.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 1.7704 -5.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 1.9080 -4.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 1.1370 -5.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 2.9024 -3.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 2.9891 -3.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 4.1487 -2.2850 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4134 4.1838 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 5.4100 -0.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 5.5717 0.4302 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0286 5.2335 1.8013 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8328 4.4724 0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 7.0992 0.5081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 4.2092 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 5.1203 -1.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 6.1147 -2.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 4.9757 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1466 4.0679 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 3.8625 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3479 2.9537 -0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 1.6176 -1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 0.4420 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 0.5839 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1705 1.1332 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 1.3778 2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 1.8698 4.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 1.0240 4.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 -0.2582 5.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -1.3178 4.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 -2.5945 5.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 -3.2282 5.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -3.6127 4.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6159 -4.2848 5.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4095 -3.4195 6.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8634 -2.1449 5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.5663 3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 1.5519 3.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 1.9890 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -0.4810 2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 -0.6596 3.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 0.0645 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -0.9328 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 -0.8699 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 -1.3649 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -3.0189 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -4.2697 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -4.2055 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 -2.9312 -2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -4.8761 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 -4.8389 -3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -2.9571 -4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -2.7240 -4.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 -5.0994 -5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 -5.3602 -6.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -3.0056 -4.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -4.6805 -7.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.8622 -5.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1698 -2.7465 -7.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -2.3659 -4.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0534 -0.5564 -3.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 -0.5595 -5.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 -1.5760 -6.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.4036 -7.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 0.6583 -7.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 2.6773 -6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 1.9701 -5.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 3.1952 -4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 2.0362 -2.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 5.0724 -2.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 3.3841 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 4.1201 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 3.8663 0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 7.8086 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 4.5359 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 5.9801 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 3.1196 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 4.5975 -2.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9983 3.6562 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8752 4.8790 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 2.8449 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9359 3.5154 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 1.2860 -2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 1.6770 -2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -0.3434 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5603 -0.0883 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 1.1775 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -0.4376 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8173 1.9629 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 0.2339 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 0.6348 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 2.3066 2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 2.1535 4.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 2.8876 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 1.6713 5.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 0.8748 4.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -0.1006 6.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -0.7090 5.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -0.9644 4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -1.5334 3.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4601 -2.3716 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -3.3211 4.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 -2.5910 6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0831 -4.1415 6.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 -4.3299 4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -2.6846 4.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2916 -4.4703 4.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4284 -5.2932 5.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7907 -3.1776 7.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3025 -4.0124 6.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9771 -2.0902 5.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -2.0741 4.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4369 -1.2364 6.0869 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 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 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 55 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 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 1 18 79 1 0 19 80 1 0 20 81 1 0 21 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 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 56133 1 0 M END