HMDB0264867 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/20:2(11Z,14Z)) 129128 0 0 0 0 0 0 0 0999 V2000 19.2241 -2.0497 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4299 -0.9574 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2850 -1.6486 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4532 -0.6817 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8485 0.3680 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0083 -0.2659 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7284 -0.0648 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9703 0.8254 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8840 0.0733 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6376 0.3776 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 1.5004 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1384 0.9030 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8675 1.2280 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 2.2158 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3286 1.7308 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 2.8393 1.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 1.0651 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 0.0040 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 0.3117 1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 1.1543 2.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 2.2000 2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 1.7990 1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 2.7535 1.6811 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 0.5557 1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 0.4053 1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6106 -1.0801 1.0104 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0370 -1.3918 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.6264 -1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 -0.7621 -2.8599 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6298 -2.1060 -3.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 0.3921 -3.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 -0.3927 -3.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 -1.4046 0.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9169 -2.0272 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 -2.8173 2.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.9892 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 -0.9769 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 0.4093 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 1.1904 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 1.5752 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3644 0.7415 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7738 -0.3236 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0821 -0.9813 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1495 0.0582 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4561 -0.5204 1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5032 -0.4562 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5208 0.1752 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9076 -0.8908 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9742 -0.7969 -2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8931 0.3295 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3089 -0.1013 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2417 -0.6937 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6325 -1.1012 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1649 -2.1662 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9118 -2.4829 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7219 -1.6237 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5383 -2.8425 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0304 -0.4269 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1040 -0.2355 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6873 -2.1976 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6525 -2.4706 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0484 -0.1877 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6288 -1.2428 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7271 0.8949 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4200 1.1858 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5412 -0.9539 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1688 -0.5653 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6827 1.1904 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6616 1.7594 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2518 -0.7803 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8955 -0.2475 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9228 1.9478 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7154 2.3096 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5184 0.1619 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 0.7722 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 2.9366 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0168 2.9107 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 1.0074 1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8794 3.6647 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 1.6772 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -0.8191 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 -0.3729 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -0.3068 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 1.5661 2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 0.4241 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 3.0615 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 2.7319 3.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.9439 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 0.7850 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 -1.5909 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.4578 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 -1.2012 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 1.2793 -3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 0.5851 -3.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -2.9900 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0261 -1.8858 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 -1.1170 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 -1.2732 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 0.6001 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3889 1.0012 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4987 0.7980 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2103 2.2109 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4695 2.1295 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2753 2.5096 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2437 1.4773 1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2721 0.2978 2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9454 -0.0455 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 -1.2045 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8464 -1.4023 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3232 -1.8435 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1687 0.8211 0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8652 0.6625 2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5001 -1.0151 2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4455 -0.9131 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4993 0.4825 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1275 1.0785 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2539 -1.7712 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2243 -1.6329 -2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6072 1.2452 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0618 0.6121 -3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9956 0.7447 -1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6945 -0.8646 -2.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8688 0.0761 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6021 -1.5983 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3467 -0.2485 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6797 -1.4404 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2843 -2.7506 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8620 -2.8674 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6997 -1.7284 -1.7811 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 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 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 0 25 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 31 93 1 0 32 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 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 54129 1 0 M END