HMDB0261895 RDKit 3D PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/20:0) 140139 0 0 0 0 0 0 0 0999 V2000 -6.1411 4.1528 -8.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3441 5.3804 -8.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 4.9059 -9.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 5.0318 -9.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 5.6465 -8.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 4.9912 -7.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 3.7643 -7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 2.6627 -8.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 1.4424 -7.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5782 1.1412 -6.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 1.9834 -5.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 2.0752 -5.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 1.6350 -3.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6964 0.9478 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 0.5740 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 0.9903 -2.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 1.9181 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 2.3510 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.9530 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 2.1261 -1.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 0.5892 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 0.2978 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 1.3053 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 2.2225 0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 1.2251 2.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 2.0735 3.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 1.4881 4.7084 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4567 2.3665 5.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 3.6378 5.6095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 4.6775 6.9005 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4025 4.1761 8.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 4.6478 7.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 6.2826 6.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 6.8345 5.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 8.2788 5.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 9.0848 6.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 0.1664 4.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 -0.9454 4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 -0.6751 4.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -2.3580 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 -3.2688 3.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 -4.7036 4.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 -5.6421 3.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 -5.4348 1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 -6.3474 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -6.2244 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 -7.0916 -1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -6.6774 -1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 -5.2772 -2.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 -4.8578 -2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -4.8061 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -3.8219 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -3.6739 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 -4.9834 2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 -4.8183 3.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1269 -6.1578 4.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6974 -6.0873 5.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -5.1675 6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6051 3.6847 -9.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 3.4108 -7.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9234 4.4228 -7.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0047 5.9796 -7.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0923 6.0324 -9.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8242 4.4157 -10.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 4.6487 -10.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 6.3466 -7.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 6.4983 -9.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 5.7087 -6.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 3.5731 -6.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 2.2474 -8.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 2.9351 -9.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 0.6280 -8.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 0.1173 -6.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 3.0770 -5.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 1.7012 -4.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6039 2.5846 -5.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5187 1.8296 -3.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 1.4152 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -0.0594 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -0.1905 -3.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 0.5951 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 2.3063 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 3.0746 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 2.6545 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 1.3214 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -0.2450 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 0.5818 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -0.7337 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 0.3241 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 3.1208 3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8117 1.9847 3.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0581 1.4009 4.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 2.0038 6.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 2.3873 6.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0847 5.4246 7.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 6.2933 4.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 6.7503 5.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 8.6786 4.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 8.4821 4.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 9.4709 6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 9.9045 6.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 -2.6756 5.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3326 -2.4306 4.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -2.9587 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 -3.1334 4.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -4.8583 3.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -5.0510 5.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -5.4587 3.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 -6.6996 3.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -4.3910 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -5.6694 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -7.4112 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 -6.2498 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 -6.6296 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -5.1965 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0046 -8.1455 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -6.9998 -2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -6.7992 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -7.3617 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -4.5772 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 -5.2629 -3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6968 -5.5607 -2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 -3.8429 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -5.7957 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -4.4740 -0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 -4.1603 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -2.8595 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -3.2634 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -3.0064 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 -5.4441 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1967 -5.7220 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 -4.0658 4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1625 -4.4928 3.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 -6.5243 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6759 -6.8639 3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -7.1041 6.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7563 -5.7492 5.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 -4.1841 6.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 -5.6177 7.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -5.0711 6.0770 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 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 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 6 28 93 1 0 28 94 1 0 32 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 M END