HMDB0285237 RDKit 3D PE(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/P-16:0) 123122 0 0 0 0 0 0 0 0999 V2000 -12.6217 0.3189 2.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0755 0.2994 3.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2515 1.4790 4.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9976 1.5471 4.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0318 0.4808 4.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4336 -0.9022 4.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0975 -1.8887 4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1575 -1.7027 2.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8148 -2.1278 1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1008 -1.5519 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8405 -0.1915 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2058 0.6939 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0276 1.2807 0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2435 1.0586 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0421 1.6262 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 1.3888 -1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 1.8826 -2.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -0.0229 -1.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 -0.7925 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.1932 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -0.1604 -2.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 0.8206 -2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 -1.1812 -2.5461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3382 -1.1069 -3.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.0224 -4.0308 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7555 -0.0317 -5.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -1.1934 -5.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 -1.0825 -7.4236 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6186 0.2465 -7.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -2.3834 -7.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 -1.1100 -8.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -0.0417 -9.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -0.0801 -10.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.0163 -10.9671 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 -0.0337 -3.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -0.0106 -1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 0.8225 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 1.0024 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -0.1080 0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -1.4193 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8961 -1.2830 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 -0.8900 2.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6504 -0.7430 2.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9892 -0.3400 4.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5098 -0.1518 4.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 -1.3750 3.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 -1.3860 4.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5823 -0.6391 3.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4563 0.8277 2.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6724 1.6285 4.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4704 3.0918 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0205 -0.6885 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8050 0.5994 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4319 1.0652 2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0127 0.4427 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7098 -0.6753 4.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7923 2.4582 4.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6103 2.6046 4.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0914 0.6898 4.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5932 0.7112 5.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1216 -1.2318 5.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4979 -2.9128 4.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2990 -2.4639 3.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6712 -0.7607 2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1476 -3.2208 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6365 -2.1557 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3115 -0.2381 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8466 0.2912 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7922 0.9449 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6475 1.9253 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5416 0.4319 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 2.2573 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 2.0531 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5557 1.1467 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4259 -0.0212 -2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 -0.5219 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6189 -0.8835 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -1.8205 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 0.7616 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.9287 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -2.0722 -3.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -1.1624 -4.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 1.0162 -3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 0.8693 -5.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9259 0.1383 -6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 -2.8069 -7.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 0.8971 -8.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 -0.1160 -9.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -1.0178 -10.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 0.0371 -9.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 1.8934 -10.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 0.9614 -11.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 -0.6396 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.4613 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 1.2101 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 1.9421 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -0.1852 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 0.1637 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -2.2124 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -1.8049 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 -0.5419 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 -2.2967 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 0.0784 2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 -1.6552 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 -0.0207 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0452 -1.7443 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7402 -1.1888 4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 0.5845 4.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7607 0.7667 3.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5925 0.0989 5.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 -2.2087 4.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -1.7565 2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0434 -1.0841 5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0483 -2.4805 4.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6638 -0.8216 3.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -1.1347 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5616 1.2160 2.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 1.2303 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7583 1.5845 4.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 1.4399 5.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2011 3.3681 3.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6104 3.7661 4.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4211 3.1427 3.4835 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 2 0 15 16 1 0 16 17 1 0 16 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 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 6 26 84 1 0 26 85 1 0 30 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 36 93 1 0 37 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 51123 1 0 M END