HMDB0273958 RDKit 3D PGP(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) 142141 0 0 0 0 0 0 0 0999 V2000 -7.8541 3.9415 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 4.0223 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8946 3.5246 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9752 4.1962 -2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 4.3116 -2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 3.0623 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9185 2.6245 -1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 3.3565 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 3.0874 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0628 2.0865 2.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6116 0.8863 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8518 -0.3208 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 -1.2081 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 -1.1439 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8836 -2.4311 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3461 -3.3302 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -3.2720 -1.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 -4.4266 -1.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 -4.3695 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -3.1540 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -3.1197 1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -1.9897 1.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 -1.0351 2.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -1.9272 1.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -1.0613 1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -0.9867 3.1850 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3640 -0.1314 3.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 1.2047 3.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 2.1610 3.4747 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4726 2.4443 4.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9238 1.3909 3.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 3.6724 2.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 3.4981 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 4.8504 0.6430 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4014 5.7180 1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 4.7673 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 3.9330 -1.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 3.8955 -3.1510 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5916 2.5710 -3.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 4.0348 -4.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 5.1549 -3.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -2.3482 3.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -2.9340 4.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -2.2132 4.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -4.3127 4.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 -5.2090 3.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -5.5021 2.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -6.0023 1.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4776 -5.5289 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -4.5021 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -5.2140 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 -4.6504 -2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4645 -3.2706 -2.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -3.1243 -3.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 -2.2564 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -1.3611 -2.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 0.0376 -2.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 0.9956 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 0.8673 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 1.7266 -0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 3.1605 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 3.9420 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 3.9306 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 4.6923 2.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1241 3.6994 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3065 3.0189 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2933 4.8615 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5244 5.0685 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8759 3.4189 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9216 3.5213 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5907 2.4288 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1946 3.7600 -3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4141 5.2716 -2.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1342 4.8814 -3.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 5.0311 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 2.3710 -2.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 1.6369 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 4.4581 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3969 3.5673 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2252 3.9434 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0289 2.1135 3.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 0.7264 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 0.9447 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8155 -0.4492 2.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 -2.0438 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9827 -0.3602 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 -0.9244 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9305 -2.5954 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9313 -4.2248 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -3.4130 -3.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.3369 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 -5.4195 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 -5.3355 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -2.2107 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 -3.3060 -0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 -4.1136 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 -3.0122 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 0.0007 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -1.2533 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 -0.6031 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -0.1465 4.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 -0.4333 2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 2.0351 2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 3.0624 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 2.8686 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4418 5.3468 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 6.4734 0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 5.7887 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5955 4.3787 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4146 3.2820 -4.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 5.3154 -4.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 -4.3436 5.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -4.6867 5.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -6.1315 4.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0512 -4.6818 3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6567 -4.6767 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 -6.3684 3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 -6.7591 1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 -5.8943 -0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -4.2936 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 -3.6170 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -6.2284 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -5.3151 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 -2.9349 -2.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -2.6000 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -3.7451 -4.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 -2.2339 -4.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.6483 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -1.5557 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 0.2327 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 2.0520 -3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 -0.1044 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 1.4036 -2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.3661 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6121 1.6529 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 3.2070 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 3.6392 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 3.5850 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 5.0173 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 4.4767 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 2.9269 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5798 4.1991 2.9864 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 1 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 6 35107 1 0 36108 1 0 36109 1 0 40110 1 0 41111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 63141 1 0 64142 1 0 M END