HMDB0292404 RDKit 3D CDP-DG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:3(10Z,13Z,16Z)) 167168 0 0 0 0 0 0 0 0999 V2000 3.7409 6.1442 -3.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 7.2335 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 7.8250 -1.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 7.8460 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8485 7.2694 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 8.2924 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 8.1565 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0504 7.0299 2.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 6.2630 3.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 7.0979 4.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 5.0475 4.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.9796 4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 2.8754 4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 1.7989 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 1.5202 4.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 1.1949 6.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 0.0258 6.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 -1.0727 5.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 -1.5301 5.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 -2.8074 5.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -3.7363 5.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 -4.7903 4.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6894 -5.6747 4.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -5.5455 5.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 -6.6003 3.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 -7.4491 3.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1775 -6.8830 3.5590 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8088 -6.0043 4.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 -4.7422 4.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 -3.6134 5.5671 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3360 -3.9304 6.9451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 -3.7054 5.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -2.0549 5.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.6520 3.5841 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3928 -0.3134 3.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -2.7775 2.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 -1.5197 2.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.8932 1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7157 -1.7501 0.5086 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5636 -2.1046 -0.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -2.1020 -1.3078 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9682 -2.7610 -2.5793 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -3.4439 -3.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -4.1020 -4.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 -4.0298 -4.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 -4.7005 -6.2683 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -3.3440 -4.4804 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 -2.7211 -3.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0844 -2.0687 -2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -2.8815 -0.2369 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9102 -2.3793 -0.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -2.6582 1.0013 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6252 -2.0468 1.9439 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2839 -6.2718 2.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 -6.7038 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 -7.6929 1.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 -6.0167 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -6.5669 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1994 -5.8931 -2.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 -4.4245 -2.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 -3.8874 -1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.3654 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -1.6451 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -0.1329 -1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0973 0.4426 -2.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 1.0860 -2.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 1.2893 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 0.7122 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 1.3913 -1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 2.7937 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 3.7135 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 3.5328 -3.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 2.3049 -4.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 2.6908 -5.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3193 3.2147 -5.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 3.5907 -6.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 4.1581 -6.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 3.2230 -5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 5.1682 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 6.1601 -4.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7755 6.3761 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 6.8675 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 8.0100 -3.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 8.2953 -1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 8.3343 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 6.9833 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 6.3297 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 9.1350 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 8.9035 2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 7.5020 3.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 6.4132 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 5.9862 2.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4665 7.5278 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 5.0335 4.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 3.9774 3.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 2.9148 5.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 0.9715 5.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 0.7175 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 2.4550 4.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 1.9553 6.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 -0.1421 7.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0753 -0.6047 4.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -1.7745 5.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4325 -0.7795 4.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -3.1624 5.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -4.3061 6.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 -3.4650 5.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -5.4216 4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8753 -4.3142 3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -8.2775 3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -8.0276 4.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -7.8078 3.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 -6.4191 5.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -5.9604 4.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -3.3794 6.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 -2.3978 2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 -2.9106 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -1.1942 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -0.6722 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.0731 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -3.4969 -2.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -4.6413 -4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0414 -5.7136 -6.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 -4.1544 -7.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6782 -3.9593 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8957 -1.4205 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 -3.6131 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5543 -1.0660 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -4.9121 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -6.2132 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2386 -6.4489 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -7.6462 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -6.1258 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -6.3362 -2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -3.8922 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -4.0663 -3.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -4.1802 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5348 -4.1227 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 -2.0684 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -2.1223 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -1.9388 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6082 -1.7939 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 0.2968 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9608 0.0759 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 0.3551 -3.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 1.4941 -3.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 0.9402 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 2.4037 -1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 -0.3781 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 0.7487 -1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 2.8432 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 3.2260 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 4.7722 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 4.4094 -3.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 1.4483 -3.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.9908 -4.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 1.7798 -6.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 3.4250 -6.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 2.5114 -4.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 4.1289 -4.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 2.6870 -7.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2537 4.3556 -7.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 5.1119 -6.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.4226 -7.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 3.0223 -6.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 3.6527 -5.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 2.2580 -5.8365 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 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 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 71 72 2 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 52 39 1 0 48 42 1 0 1 79 1 0 1 80 1 0 1 81 1 0 2 82 1 0 2 83 1 0 3 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 7 89 1 0 8 90 1 0 8 91 1 0 9 92 1 0 10 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 15 98 1 0 15 99 1 0 16100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 20105 1 0 21106 1 0 21107 1 0 22108 1 0 22109 1 0 26110 1 0 26111 1 0 27112 1 6 28113 1 0 28114 1 0 32115 1 0 36116 1 0 38117 1 0 38118 1 0 39119 1 6 41120 1 6 43121 1 0 44122 1 0 46123 1 0 46124 1 0 50125 1 6 51126 1 0 52127 1 1 53128 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 62139 1 0 62140 1 0 63141 1 0 63142 1 0 64143 1 0 64144 1 0 65145 1 0 66146 1 0 67147 1 0 67148 1 0 68149 1 0 69150 1 0 70151 1 0 70152 1 0 71153 1 0 72154 1 0 73155 1 0 73156 1 0 74157 1 0 74158 1 0 75159 1 0 75160 1 0 76161 1 0 76162 1 0 77163 1 0 77164 1 0 78165 1 0 78166 1 0 78167 1 0 M END