HMDB0008651 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) 162161 0 0 0 0 0 0 0 0999 V2000 6.0316 -5.4173 -1.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 -4.5514 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 -4.0227 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -3.0815 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 -3.6434 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -2.6982 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -2.2219 -1.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9818 -2.4927 -3.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -1.2628 -3.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 -1.0178 -4.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7834 -1.9197 -3.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8609 -1.5989 -2.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 -0.6025 -2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 0.6400 -1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 0.7584 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 0.8469 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 0.8554 -0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 2.1689 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 2.3128 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 2.2587 -2.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 2.4857 -2.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 3.8371 -2.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 4.8628 -3.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 3.9394 -1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4266 5.1721 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 4.9103 0.8454 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0591 6.2976 1.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 6.8478 1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 8.3469 2.3133 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0171 8.4404 3.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9731 9.5773 1.1560 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5682 8.5599 3.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 9.8081 3.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 9.9918 4.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 8.9898 5.7070 N 0 0 0 0 0 4 0 0 0 0 0 0 0.7601 8.6583 6.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 7.7880 5.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 9.4659 6.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 4.0920 1.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 3.0022 2.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 2.7750 2.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4863 2.2273 2.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 1.3808 4.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 0.3438 3.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 -0.7428 2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -1.7900 3.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6408 -2.9487 2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 -3.9914 2.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -5.2183 1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 -5.2082 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -6.6600 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 -6.9803 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 -6.2657 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -6.3287 -2.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 -5.6518 -4.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -4.5754 -4.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 -3.8716 -2.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 -2.4624 -2.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -2.1546 -2.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -2.4690 -3.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2008 -2.1403 -3.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4578 -0.7088 -3.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1229 0.2491 -4.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4522 1.6381 -3.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9629 -4.9751 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -5.8723 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6963 -6.3417 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 -3.7316 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4661 -5.1781 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4265 -3.6351 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2799 -4.9267 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2257 -2.7674 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 -2.1804 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -4.6191 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -3.7703 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9398 -2.3867 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -1.5260 -1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 -3.3655 -3.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -2.8044 -3.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -0.5044 -4.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -0.0522 -4.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 -2.1271 -4.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 -2.9681 -3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 -2.4184 -2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0895 -0.6232 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0092 1.5449 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4766 0.6371 -2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 0.7711 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 0.9276 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 0.0793 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 0.7658 -1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 2.2360 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 3.0244 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 3.3031 -0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 1.5722 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 3.0294 -3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 1.2468 -2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 1.7084 -2.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 2.4772 -3.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 5.7330 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 5.8153 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0321 4.5674 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 6.1952 2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 6.9343 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 9.9437 4.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5775 10.5927 3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 10.9887 5.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 9.9872 4.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 9.4961 6.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0092 7.8035 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 8.3189 5.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 6.9899 5.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 8.0017 4.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 7.4509 5.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 8.9829 7.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 10.5668 6.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 9.1710 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 2.9730 3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 1.6459 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 2.0769 4.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 0.8662 4.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -0.1880 4.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 0.8552 3.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6644 -0.2731 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 -1.1678 3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 -1.2635 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -2.1999 4.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -2.5953 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.3761 2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7063 -3.4828 2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -4.2001 3.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -5.8106 1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 -5.9312 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 -4.9854 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 -4.5214 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 -7.0018 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -7.2474 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7312 -6.9727 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 -8.0908 -1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 -5.2332 -2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 -6.8056 -3.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -7.4371 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 -6.0431 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 -6.0519 -5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -4.1332 -5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -3.8161 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 -4.4292 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -1.8894 -3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.0470 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 -2.5244 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -1.0206 -2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7568 -3.4745 -4.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -1.8015 -4.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6285 -2.7825 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7774 -2.3651 -4.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5627 -0.6217 -2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9906 -0.3916 -2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 0.0789 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 0.2096 -4.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1129 2.4304 -4.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5356 1.7741 -3.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 1.8222 -2.7209 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 1 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 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 56 57 1 0 57 58 1 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 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 6 27103 1 0 27104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 36109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 38117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 59150 1 0 59151 1 0 60152 1 0 60153 1 0 61154 1 0 61155 1 0 62156 1 0 62157 1 0 63158 1 0 63159 1 0 64160 1 0 64161 1 0 64162 1 0 M CHG 2 31 -1 35 1 M END