HMDB0267130 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/a-21:0) 133132 0 0 0 0 0 0 0 0999 V2000 -5.1061 5.6653 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 5.4885 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 5.4219 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 5.2518 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6327 5.2067 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 5.0237 -2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 4.0080 -3.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 2.9437 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 2.8112 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1703 1.7420 -5.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 0.4696 -5.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 -0.6766 -5.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -0.7645 -6.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -1.9042 -4.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -2.7221 -4.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6894 -2.5183 -3.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 -3.4213 -2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3868 -3.3222 -1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1358 -3.2260 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3726 -4.4113 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -4.1739 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -4.7485 2.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9619 -3.3642 2.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7669 -3.1002 3.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4643 -2.3187 4.0766 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1838 -2.2131 5.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -1.4726 6.1932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 -1.3789 7.8474 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5804 -0.5921 8.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 -0.5733 8.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -2.9219 8.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5122 -1.0818 3.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -0.8233 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -1.7318 1.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 0.4851 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 0.4642 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 0.0406 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 0.7394 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 0.8569 1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 1.6070 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3556 1.8213 3.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6679 2.4610 3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 1.8386 2.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 1.0308 1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -0.3611 1.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 -0.9887 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -2.3739 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 -3.0151 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 -3.2653 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 -2.2263 -1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1637 -1.1918 -2.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -1.7519 -3.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3304 -0.1962 -2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 -0.8877 -2.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8926 5.1800 1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3299 6.7606 2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 5.2858 3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 4.5027 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 6.3191 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 6.3202 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4322 4.4850 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 4.3593 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 6.1745 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 4.5788 -2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9597 6.2815 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 5.8078 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 3.9234 -3.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 1.9896 -3.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 2.9764 -2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 3.7036 -5.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 1.8118 -6.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 0.1824 -5.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 0.4699 -4.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5659 -0.4604 -4.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -0.4630 -7.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -2.0774 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -3.5965 -3.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -1.7129 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 -4.2558 -2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -4.2009 -2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9429 -2.4280 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1267 -3.1305 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 -2.3131 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8647 -5.3822 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 -4.3956 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6298 -2.6483 4.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5886 -4.0885 4.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -2.9333 3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0717 -3.2073 6.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -1.6716 5.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9975 -0.5898 9.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 -3.4180 8.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 1.2623 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 0.7986 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 -0.1526 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 1.5047 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 0.1151 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -1.0835 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 1.7827 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 0.2956 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 -0.1387 2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 1.4055 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 1.1838 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 2.6504 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 0.8639 3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 2.4747 3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 2.8817 4.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 3.4869 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 1.2371 3.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7243 2.7040 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 0.8766 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 1.5580 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 -0.5101 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -0.9917 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 -0.3997 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 -0.9439 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -3.0197 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -2.3118 0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -2.5604 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5689 -4.0635 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8844 -3.9433 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -4.0174 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 -1.7966 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3766 -2.7962 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -0.6265 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2528 -2.8028 -4.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 -1.1584 -4.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -1.6205 -4.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1333 0.6676 -3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4157 0.1654 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5066 -1.7225 -3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1759 -1.2445 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2747 -0.1274 -3.4433 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 1 0 12 14 1 0 14 15 2 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 51 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 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 30 91 1 0 31 92 1 0 35 93 1 0 35 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 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 M END