HMDB0277497 RDKit 3D PI(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 143143 0 0 0 0 0 0 0 0999 V2000 6.1226 11.2092 -1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0507 9.6979 -1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 9.1128 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 7.6084 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 6.9508 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1053 5.5002 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 4.6087 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 4.9703 2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0533 4.4979 2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 3.6657 3.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 3.1301 4.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1327 3.4077 5.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1552 2.4976 6.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.0703 6.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 0.3456 5.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -0.4580 4.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -0.7525 5.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 -2.2514 5.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 -2.6247 6.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -2.2686 5.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 -1.9480 4.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 -2.2373 5.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 -1.8260 4.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -2.7208 3.0454 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6079 -1.8914 1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 -2.5776 0.7489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -1.6595 -0.6375 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0343 -0.8444 -0.9325 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 -0.5252 -0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -2.5307 -2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -2.9885 -1.9775 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0219 -4.4165 -2.4173 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9238 -5.2967 -1.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -4.6414 -3.1677 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4831 -6.0184 -3.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -3.9561 -4.5013 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4103 -4.1134 -5.1774 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 -2.5278 -4.2893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6559 -2.1609 -4.9654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 -2.0780 -2.8723 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1265 -0.8256 -2.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -3.8780 3.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 -5.1838 3.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -5.3917 2.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 -6.3845 3.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 -6.2646 2.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2125 -6.0222 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -4.8280 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 -3.8651 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6468 -3.9536 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4832 -2.9150 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2726 -2.1143 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4625 -2.0962 -1.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1899 -0.9806 -2.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 0.2328 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3376 0.8123 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 1.3466 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 1.4289 -1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 0.9642 -3.1878 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1661 -0.4050 -3.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 1.1819 -3.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5477 0.6933 -5.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 0.9082 -5.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.4609 -7.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 11.6114 -2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 11.6816 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3043 11.4511 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 9.2476 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 9.4871 -2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 9.4248 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 9.4778 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 7.3901 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 7.1601 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 7.3286 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 7.3502 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 5.1670 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 3.5403 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 4.7329 2.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 6.0993 2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9328 4.8889 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2818 3.3873 3.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 2.1472 4.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 3.7618 3.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 4.4997 6.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1801 2.9250 7.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 0.6965 7.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 0.6230 7.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 0.4442 4.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -0.9524 3.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 -0.2613 6.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -0.4454 4.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -2.6276 6.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0358 -2.7937 4.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -3.7294 6.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 -2.2048 7.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -1.4940 4.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -0.8441 3.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 -3.1830 3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6559 -1.7141 1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 -0.9069 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 0.1460 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -2.8595 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -4.6607 -3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -5.4476 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 -4.1999 -2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 -6.1931 -3.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -4.4555 -5.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -4.9272 -5.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 -1.9133 -4.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -1.8474 -4.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7714 -1.9033 -2.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 -0.0973 -2.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 -6.6860 4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2747 -7.2661 2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6909 -7.2763 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7974 -5.4903 3.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -6.8928 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1788 -6.3233 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -4.7528 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -2.9740 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1152 -4.9364 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7204 -3.8597 -1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4365 -2.8081 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8798 -1.4364 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 -2.3093 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0655 -3.0318 -2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4032 -1.1428 -3.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6772 0.9081 -3.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6734 0.2082 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0634 1.7386 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8474 1.7581 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 1.8770 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 1.5582 -3.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -0.8728 -3.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 2.2625 -3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 0.6403 -3.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.3805 -5.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 1.2874 -5.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 0.3383 -5.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.0001 -5.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 -0.2447 -7.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 1.3127 -7.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 -0.0023 -7.3402 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 24 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 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 40 31 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 23 96 1 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 1 0 29101 1 0 31102 1 1 32103 1 6 33104 1 0 34105 1 1 35106 1 0 36107 1 6 37108 1 0 38109 1 6 39110 1 0 40111 1 1 41112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 58132 1 0 59133 1 6 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 64141 1 0 64142 1 0 64143 1 0 M END