HMDB0008057 RDKit 3D PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -6.1377 1.6739 -7.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 1.3397 -7.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 2.5454 -8.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1243 3.2130 -8.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 2.8449 -6.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 3.9810 -5.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 4.6365 -5.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 4.3700 -5.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 4.0946 -4.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 3.0452 -3.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 1.8194 -4.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 1.5887 -5.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 0.6588 -6.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 -0.3521 -5.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 -1.6948 -6.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -2.5583 -5.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -2.3891 -3.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -3.4816 -3.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -4.4372 -2.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -4.5806 -2.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2977 -4.6315 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -3.4129 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 -2.4295 -0.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 -3.2950 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -2.1555 1.8995 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5710 -1.5260 3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 -0.4164 3.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 0.4361 4.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3531 0.2092 5.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 1.5414 4.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 2.9100 4.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 3.0445 3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 2.7396 2.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 2.8362 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 1.8938 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 1.7994 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 0.8627 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 0.8040 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 0.2894 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 0.2866 1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -0.5816 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7072 -0.5673 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0423 -1.0450 2.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6035 -2.4650 2.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0110 -2.8169 3.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 -4.2311 4.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -2.5336 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -3.4888 3.3727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 -3.9049 3.9210 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1977 -5.4072 3.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 -3.3128 5.4727 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.1991 -3.1845 2.8954 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 -2.2756 3.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -1.6559 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8380 -0.6917 3.2420 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.2109 0.3597 2.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -0.0164 4.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0932 -1.2674 3.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5292 1.0146 -6.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1311 2.7306 -7.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7277 1.6503 -8.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6724 0.4852 -8.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 1.0469 -7.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 2.8877 -9.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 4.0954 -8.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 1.9122 -6.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 2.7379 -7.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 4.2598 -5.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8373 5.4824 -4.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 3.6005 -6.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 5.3620 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 4.9348 -3.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 3.1170 -2.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 1.7126 -4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 0.9081 -3.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 2.2380 -6.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 0.6429 -7.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -0.2957 -6.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 -0.1271 -4.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.9011 -7.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 -3.5270 -5.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 -2.5566 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -1.4529 -3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -3.4127 -3.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 -5.1905 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1038 -3.7867 -2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 -5.5897 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 -4.7270 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -5.5530 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 -1.3735 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 -1.2886 2.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -2.2755 3.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 1.3951 4.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 1.5056 5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 3.1651 5.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 3.6356 4.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 4.1879 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 2.6216 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 3.4258 2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 1.7014 2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 3.9155 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 2.8563 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 0.8430 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0716 2.0701 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 1.1815 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 2.7271 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.2591 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -0.1480 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1845 1.8109 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 0.1296 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 0.8749 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -0.7833 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8241 1.3386 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6761 0.0831 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 -0.1689 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 -1.6051 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1919 -1.2860 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 0.4133 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1373 -0.9542 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5972 -0.4033 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -2.5682 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0944 -3.1771 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1232 -2.7160 3.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -2.0790 4.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5123 -4.3066 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 -4.4404 5.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1165 -4.9159 3.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 -1.6340 2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1635 -2.9760 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 -1.5175 4.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 -2.8265 4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6191 -2.4913 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -1.2598 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3313 0.6529 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0165 0.0273 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 1.2548 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0271 -0.7185 5.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 0.7167 4.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 0.5638 4.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8425 -1.9816 4.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6640 -1.7383 2.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -0.4023 4.1219 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 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 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 51 -1 55 1 M END