HMDB0268267 RDKit 3D PA(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-21:0) 133132 0 0 0 0 0 0 0 0999 V2000 15.1064 -0.8483 5.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8196 -0.0734 4.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8276 0.6424 3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 1.3988 2.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6534 2.1316 1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7572 1.1969 1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6963 1.0636 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5142 1.8315 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 1.6537 -2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5021 0.7060 -3.0047 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5475 -0.5806 -2.5146 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0993 1.3016 -3.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2203 0.3175 -3.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2024 -0.2286 -3.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7985 0.0458 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3868 0.5951 -1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3922 -0.0153 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 0.4792 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 0.7767 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.2617 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 0.1082 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -0.8328 0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 0.0871 -2.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 -1.0016 -2.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.2266 -2.1629 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4609 -2.3985 -2.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.1160 -4.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 -3.4021 -5.0775 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8698 -4.4001 -4.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -4.1439 -6.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 -2.8090 -5.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 -0.1291 -2.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 0.3903 -1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 -0.1448 -0.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 1.5602 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 0.9439 -2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -0.0652 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 -0.7678 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 0.0609 -2.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2595 0.8331 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7214 -0.0847 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4061 0.4635 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6946 1.1917 0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6125 0.2064 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9242 -1.0037 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6039 -0.8938 2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9895 -0.2431 2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7166 -0.1305 3.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0752 0.5392 3.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8816 -0.2548 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2248 0.2127 1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2877 0.3576 2.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0207 1.3299 3.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7619 -0.9754 3.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9278 -0.1312 6.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7435 -1.6532 6.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1329 -1.1804 5.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4022 -0.8034 4.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5555 0.6196 5.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2281 1.3582 4.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1697 -0.1126 3.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2301 0.6643 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2490 2.1422 3.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 2.7392 2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2054 2.8309 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0988 0.5762 1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 0.3430 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2419 2.5792 -0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0573 2.2653 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7720 0.6003 -4.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3638 -1.2646 -3.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 2.2204 -3.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7754 1.6787 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4738 0.0586 -4.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5864 -0.9586 -3.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7745 -0.9309 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 0.7149 -1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1887 1.4968 -2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6244 -0.9231 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 1.3979 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -0.2908 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 1.5176 0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3791 -0.1755 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 2.1280 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 1.4177 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0869 -1.9385 -2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 -0.7718 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -1.5370 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5582 -2.5212 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -3.3508 -2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -3.7274 -6.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -2.0908 -5.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 2.3116 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 1.9509 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 0.4214 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 1.7538 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4668 0.3988 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -0.8401 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1227 -1.2858 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 -1.5990 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3802 -0.6332 -2.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 0.8212 -2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 1.5139 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 1.4852 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3902 -0.8511 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 -0.7125 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6114 -0.2976 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7041 1.1940 1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0936 1.5581 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5237 2.0987 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5694 0.7692 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2235 -0.0245 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5146 -1.7407 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9632 -1.5807 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8304 -1.9025 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0366 -0.3647 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5208 -1.0313 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9573 0.6556 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1251 0.5281 4.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8683 -1.1277 3.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8111 1.5430 2.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5567 0.7536 4.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9006 -1.3538 2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2911 -0.2739 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5609 -0.4712 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0852 1.1927 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2049 0.7411 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3289 2.1389 3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9803 1.9132 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7337 0.8939 4.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9159 -1.6895 2.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7692 -0.7924 3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1236 -1.3626 4.1134 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 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 52 53 1 0 52 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 9 69 1 0 10 70 1 6 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 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 1 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 51126 1 0 52127 1 0 53128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 M END