HMDB0290944 RDKit 3D CDP-DG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/16:1(9Z)) 150151 0 0 0 0 0 0 0 0999 V2000 -2.6082 -3.4425 -6.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 -3.9315 -5.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6729 -2.9807 -5.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9913 -2.2866 -4.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -2.4128 -3.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 -2.8993 -2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3481 -2.2636 -0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7131 -0.9294 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 -1.0159 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 -0.3116 1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1237 0.6829 1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6287 2.0505 1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 2.7181 2.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8829 2.2376 4.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 2.2622 5.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 1.2456 6.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2899 -0.0764 5.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9747 -1.0861 6.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -1.0435 7.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4124 -2.1644 8.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 -0.8490 7.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -1.9570 6.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -1.6526 6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -0.7204 7.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 -2.3139 5.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -1.9337 5.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 -2.6970 4.3889 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5393 -2.0130 4.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 -0.6653 3.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 0.1782 3.6367 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6771 -0.5748 2.7304 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 0.3684 5.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 1.7083 3.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 1.8221 1.4684 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2383 0.4454 0.8774 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5588 2.6234 1.4157 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 2.6697 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 2.1623 0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 3.0173 -0.4967 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5796 2.6185 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 3.7591 -1.0777 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4378 3.6446 -1.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 4.5726 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 4.4220 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 3.2505 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5876 3.0335 -1.7557 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 2.3251 -1.9217 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 2.5133 -1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 1.5827 -2.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 4.7928 -0.0848 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2332 6.0976 -0.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 4.4717 -0.0803 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6175 5.2086 -1.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -2.4777 3.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -3.5242 2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -4.6796 2.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 -3.2947 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -4.4143 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 -4.5290 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -3.2167 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.1825 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 -1.7740 -1.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6112 -1.4756 -2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0354 -2.2953 -3.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 -1.7744 -4.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2488 -0.3426 -4.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 -0.1208 -6.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 1.3420 -6.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 1.7017 -7.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8348 1.3146 -7.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -0.1444 -7.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 -3.1063 -6.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -4.3271 -7.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -2.6323 -7.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 -4.1102 -4.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 -4.9296 -5.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2738 -2.8750 -6.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -1.5985 -4.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 -1.4090 -2.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 -3.0651 -3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -3.8771 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 -2.6833 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 -0.4996 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 -0.2358 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 -1.7505 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 -0.4554 2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 0.7044 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 0.3617 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 2.5075 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5709 3.7418 3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6581 3.0839 4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4822 1.3761 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7683 3.2492 5.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 1.4176 7.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8878 -0.2485 4.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3457 -2.0709 6.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5553 -0.1562 8.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 -2.3829 8.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 0.1379 7.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -1.0158 8.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 -2.9008 7.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -2.0375 5.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 -0.8424 5.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 -2.2140 6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -3.7466 4.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1736 -2.0803 5.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -2.4799 3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 -0.5114 5.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 2.2287 0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 1.1396 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 2.2810 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 2.8638 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 3.9972 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 5.4804 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 5.1680 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 2.3101 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2763 3.5735 -1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 4.5700 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 6.6581 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 4.5909 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 4.6268 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 -2.3236 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -3.3736 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -4.1869 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -5.3862 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -4.8431 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -5.3586 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -2.4417 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -2.9446 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -3.4214 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 -3.9056 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 -1.5512 -2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9868 -1.1110 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3013 -1.8400 -1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8467 -0.4132 -2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 -3.3964 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6483 -2.4127 -5.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 0.0084 -5.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9121 0.3224 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 -0.6606 -7.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 -0.4632 -5.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 1.7993 -5.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 1.8035 -6.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 2.8091 -7.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 1.2072 -8.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 1.7492 -6.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 1.8200 -8.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 -0.3187 -8.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 -0.5057 -6.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -0.7479 -7.7503 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 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 2 0 44 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 48 49 2 0 41 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 27 54 1 0 54 55 1 0 55 56 2 0 55 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 64 65 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 52 39 1 0 48 42 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 18 96 1 0 19 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 26103 1 0 26104 1 0 27105 1 1 28106 1 0 28107 1 0 32108 1 0 36109 1 0 38110 1 0 38111 1 0 39112 1 6 41113 1 6 43114 1 0 44115 1 0 46116 1 0 46117 1 0 50118 1 1 51119 1 0 52120 1 1 53121 1 0 57122 1 0 57123 1 0 58124 1 0 58125 1 0 59126 1 0 59127 1 0 60128 1 0 60129 1 0 61130 1 0 61131 1 0 62132 1 0 62133 1 0 63134 1 0 63135 1 0 64136 1 0 65137 1 0 66138 1 0 66139 1 0 67140 1 0 67141 1 0 68142 1 0 68143 1 0 69144 1 0 69145 1 0 70146 1 0 70147 1 0 71148 1 0 71149 1 0 71150 1 0 M END