HMDB0287986 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/22:2(13Z,16Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -0.3305 -3.8981 -4.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -2.4659 -4.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -2.6056 -6.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -1.2406 -6.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -1.4291 -7.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -0.1132 -8.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 0.3700 -8.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 -0.2771 -7.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5559 0.2624 -6.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3456 1.3093 -6.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2204 2.2250 -6.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 2.1937 -4.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 3.1003 -4.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 3.1444 -3.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.7854 -2.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 1.5404 -1.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 1.9650 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 3.4162 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 3.4396 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 4.7506 2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 5.4721 2.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 4.7041 2.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6438 3.4700 3.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 5.1912 3.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 4.2611 3.9797 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0055 4.5273 5.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 3.2961 5.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 2.1277 5.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 2.1724 5.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 0.7441 6.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 0.0637 4.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -1.3957 4.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 -1.8581 3.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 -2.7687 2.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -3.5192 3.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8906 -4.9853 3.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -5.7370 3.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -5.0992 3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -5.6361 3.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -6.1685 3.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 -6.3309 2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3413 -7.7283 1.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 -8.3469 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8091 -7.8021 -0.0530 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0592 -6.5011 -0.4607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 -8.0408 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -9.5540 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -9.7530 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -9.1416 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9861 4.2098 3.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 3.2611 3.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 3.1880 3.1246 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1054 2.2068 1.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 2.6372 4.1909 O 0 0 0 0 0 1 0 0 0 0 0 0 5.5708 4.7396 2.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6421 4.8259 1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 6.2404 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 6.7461 0.4702 N 0 0 0 0 0 4 0 0 0 0 0 0 4.9136 7.5696 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 5.7091 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 7.6152 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -4.3829 -5.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -4.4066 -4.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 -3.8192 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 -2.0105 -4.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 -1.9505 -5.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -3.2228 -6.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 -3.0799 -5.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 -0.7594 -5.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 -0.5999 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -2.0709 -8.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -2.0462 -7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 0.5012 -8.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 1.3723 -8.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4603 -0.2856 -8.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6209 -1.4023 -7.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5255 -0.3204 -6.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1486 1.5312 -5.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5106 3.2938 -6.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3693 2.0333 -6.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3677 2.4715 -3.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 1.1494 -4.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6308 4.1412 -5.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 2.6218 -5.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 3.8483 -3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 3.6037 -2.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7186 1.3241 -3.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 1.0840 -2.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 0.4060 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.9407 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 1.4897 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 1.4889 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 4.0689 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 3.7866 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 3.0281 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 2.6369 1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 4.7004 3.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 5.4236 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 6.4070 2.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 5.8211 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 3.2622 3.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 5.3258 5.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 4.6466 6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 0.8423 6.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 0.2273 6.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 0.5830 4.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 0.2535 4.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 -1.5165 4.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -1.9919 5.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -1.3763 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -3.0181 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1563 -3.3612 4.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 -3.1381 3.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 -5.4733 3.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 -6.7895 3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 -5.4127 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 -4.0359 3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 -5.5482 5.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 -6.5191 4.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 -5.8626 2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 -5.7138 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 -8.2681 2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1024 -9.4179 0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 -8.4016 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2173 -6.0866 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -7.6842 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 -7.6449 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -9.9759 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3513 -10.0559 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -10.8143 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 -9.2393 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -9.0637 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1223 -9.8121 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 -8.1667 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 5.1753 3.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 3.8959 2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 4.1631 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 4.5683 2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 6.8834 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7142 6.2737 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 8.4132 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 6.9688 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 8.0359 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 5.2436 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 6.1943 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3646 4.9593 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7953 8.4121 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 6.9966 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 8.1032 -0.9944 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 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 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 6 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 49134 1 0 50135 1 0 50136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 59141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M CHG 2 54 -1 58 1 M END