HMDB0116473 RDKit 3D PGP(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -5.8321 3.5091 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0756 4.6969 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 4.9570 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 5.2822 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 4.1654 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 4.5235 0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 3.8761 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 2.6354 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 1.8713 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 1.6031 -1.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 2.0820 -3.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 2.8675 -3.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 2.6116 -5.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 1.5236 -5.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 0.6615 -6.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -0.6211 -6.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -1.5515 -5.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 -2.3368 -4.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 -2.4279 -3.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 -1.7607 -2.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 -2.9245 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 -2.3517 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -1.9382 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -2.2372 -1.2092 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.7223 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4502 -2.5378 0.9402 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2275 -3.7928 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -4.6809 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 -6.0350 -0.4811 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7686 -6.8250 0.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8158 -5.5274 -1.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5472 -6.9809 -1.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -6.8056 -1.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 -7.5521 -2.1907 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0395 -7.3122 -1.7516 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 -7.0758 -3.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -7.7302 -4.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 -7.1056 -6.0301 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9857 -7.9271 -7.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 -7.0086 -6.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -5.5360 -6.0253 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -2.7601 1.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 -2.2551 2.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -1.5627 3.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -2.5946 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -1.6426 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -0.3462 3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 0.6148 3.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 1.1902 4.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3307 1.9425 5.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4474 2.5821 6.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 3.5320 6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7172 3.5405 6.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 2.5725 7.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 1.7715 6.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 1.6796 5.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 2.4249 4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 1.4242 2.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 2.2129 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 3.0971 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 3.8019 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2635 2.6876 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8598 3.0469 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5204 3.7805 2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0574 5.5886 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1113 4.6120 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 5.7462 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2064 4.0365 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 5.4134 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6117 6.1987 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 3.2668 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5086 4.1619 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 5.5042 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 4.4030 0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 2.8652 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 1.9321 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 1.4271 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.0273 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 2.7924 -2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 1.2456 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 3.7114 -3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 3.2811 -5.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 1.9936 -6.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 0.8713 -5.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.1899 -7.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8528 -1.1147 -6.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -1.0491 -4.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -2.2392 -6.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -2.9254 -5.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -3.0674 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.0325 -3.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -1.2188 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 -3.5321 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -3.4481 -2.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -0.6739 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -1.6800 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -1.8793 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 -3.5133 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 -4.2396 1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -6.2316 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -7.1568 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -5.7235 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -8.6338 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -6.4649 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -7.1156 -3.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -5.9786 -3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -6.3867 -7.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -4.9822 -6.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -3.5706 4.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -2.8614 2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 -1.5313 5.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 -2.1614 4.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 0.1944 4.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -0.6276 2.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 1.5280 3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 0.3333 2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 1.8624 4.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0918 0.3568 5.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8669 2.7069 4.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 1.2377 5.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 1.7668 7.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 3.1225 7.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 4.3406 5.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 4.3802 5.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 1.8452 7.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9173 3.1920 7.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 1.0521 7.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 0.9399 4.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 3.0861 4.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3731 2.9402 3.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9448 0.8269 2.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 0.7563 3.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.5388 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7626 2.8824 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 3.8786 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5764 2.5224 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 3.1421 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0075 4.0721 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 4.7090 -0.3561 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 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 6 35104 1 0 36105 1 0 36106 1 0 40107 1 0 41108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 61137 1 0 61138 1 0 61139 1 0 M END