HMDB0265280 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:4(8Z,11Z,14Z,17Z)) 124123 0 0 0 0 0 0 0 0999 V2000 16.5047 -0.7975 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5559 0.6156 0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8183 0.4263 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0388 0.8226 -1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7579 1.5320 -1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 0.7110 -2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 0.1846 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 0.3999 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5193 -0.9366 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 -1.4781 1.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3538 -0.9556 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 0.3780 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8293 0.6599 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -0.3433 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -0.2157 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 1.1603 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 1.3980 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 2.7542 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 3.0519 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 2.1567 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 2.1589 -2.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2907 1.2736 -0.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3449 0.3862 -1.3805 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0139 0.6185 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -0.1169 -1.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 -1.3939 -1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 -2.1789 -0.5768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 -1.8805 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2911 -0.7517 -2.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7913 0.3526 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 -0.0988 -0.8264 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2275 -1.0360 0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2358 1.1112 -0.0069 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1312 1.6944 0.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2296 0.6455 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5298 0.5119 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4367 0.0467 1.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7184 -0.0693 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5930 -0.5296 2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8738 -0.6628 2.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5455 -0.3827 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8563 -0.5374 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5523 -0.2519 -0.3124 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.5601 0.1836 -1.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5415 0.8512 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6357 0.5850 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4587 -0.6166 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1286 -0.4565 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9734 -1.6671 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 -0.9810 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9754 -1.2826 0.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -2.8336 0.4837 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8224 -3.5584 -0.8085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7048 1.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 -2.8454 1.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9066 -1.4089 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9993 -0.7491 2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5469 -1.1608 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4358 1.1301 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6328 1.1064 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7550 -0.0954 -1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2883 0.6526 -2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7722 2.5004 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6500 1.8989 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7668 0.5370 -3.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9021 -0.4067 -1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 1.0152 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5506 0.9456 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 -1.5474 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8457 -2.5429 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5301 -1.6961 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3506 -1.0848 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4990 1.2278 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6082 1.7404 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 -1.3733 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8531 -0.1049 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 -0.4036 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9075 -0.9502 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 1.2288 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6432 1.9800 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7105 1.3718 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 0.6027 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 2.8257 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 3.5443 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 4.1016 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 3.0089 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 0.5552 -2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 1.7242 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 0.4786 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -2.5323 -2.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2712 -2.5153 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -1.1205 -3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 -0.2718 -3.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 0.9885 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 1.0293 -2.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6372 -0.5621 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.5395 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6621 1.8413 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 2.6082 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8922 0.3827 1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8811 0.7655 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0384 -0.1909 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0746 0.1758 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1522 -0.7661 3.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4748 -1.0183 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0089 -0.0383 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4065 -0.8848 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9668 -1.1745 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4275 1.1639 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0017 1.0321 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9863 1.7760 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1678 0.4925 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3224 1.4546 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3144 -0.6165 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9652 -1.5787 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7574 0.4514 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3965 -0.3567 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7473 -1.8728 -0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3949 -1.4661 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2679 -2.5195 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -0.9898 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 -1.7910 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -3.9989 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 -2.1171 2.1215 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 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 6 32 97 1 0 33 98 1 6 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 6 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 54123 1 0 55124 1 0 M END