HMDB0289420 RDKit 3D PC(20:3(6,8,11)-OH(5)/DiMe(9,5)) 144144 0 0 0 0 0 0 0 0999 V2000 4.8697 3.9217 -4.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 3.7651 -3.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 4.6738 -2.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 4.5943 -4.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 4.8406 -5.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9297 4.7513 -6.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 5.7323 -6.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 5.5357 -6.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 4.2614 -6.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 3.3577 -5.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 2.0843 -5.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 0.9182 -5.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 0.0057 -4.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -1.1386 -5.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -2.0222 -4.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -3.1984 -4.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -4.2378 -4.9176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -3.0348 -4.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 -2.0065 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -2.0432 -3.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 -1.8841 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 -2.8238 -1.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -0.7215 -1.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.4351 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -0.4379 0.4874 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8447 0.6824 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.7196 2.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 1.9388 2.7408 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4139 2.6851 3.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1882 3.1117 1.5165 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4704 1.3403 3.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 0.3215 4.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8847 -0.1114 4.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -1.1655 5.2568 N 0 0 0 0 0 4 0 0 0 0 0 0 6.8485 -2.2163 4.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 -1.7521 5.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 -0.7567 6.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.6771 0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -2.3895 1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4966 -1.8467 2.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -3.6827 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2882 -4.2419 3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3993 -4.5051 2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 -5.0539 2.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -5.3015 1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 -5.8543 2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8036 -5.1265 3.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 -3.9028 2.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8629 -2.6767 2.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5534 -1.6980 3.2509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9842 -0.7167 2.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 0.5461 3.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 0.6528 3.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3528 -0.2529 4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 -0.1477 5.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0549 -0.3953 6.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8797 -1.0080 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3106 -0.2241 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -2.2504 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -2.9928 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 4.8566 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 3.8633 -3.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 3.0687 -4.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 3.9394 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 2.6837 -2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 5.7384 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 4.6086 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 3.6549 -3.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 5.4019 -3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 3.9696 -5.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 5.7894 -5.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 5.1322 -7.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 3.7588 -6.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 5.6067 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 6.7606 -6.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 5.6802 -7.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 6.3735 -6.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 4.0308 -7.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 3.5172 -5.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 2.1267 -6.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 1.9898 -4.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1293 0.8490 -6.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 0.1215 -4.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 -1.2452 -6.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.8311 -3.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 -3.6509 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -5.0037 -4.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.0132 -5.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -2.8034 -6.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 -0.9613 -4.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -2.1036 -5.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 -1.1542 -3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -2.9828 -3.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 0.5628 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 -1.1245 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -0.1996 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 1.6342 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 0.5811 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 -0.4693 3.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 0.7427 5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 -0.2940 3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 0.7911 4.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -2.3613 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 -1.9695 4.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 -3.1812 5.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -1.1234 6.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 -2.1278 4.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 -2.6814 6.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 -1.6243 6.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -0.4598 7.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 0.1130 6.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -4.4710 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 -3.5973 3.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -5.1547 3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -3.4485 3.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -5.2719 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -3.6346 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -5.9581 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 -4.3007 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 -6.0844 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6845 -4.4023 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7158 -6.8769 2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5594 -6.1786 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -4.9921 4.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 -5.8806 3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1937 -3.6124 3.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3091 -4.1971 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 0.7914 4.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7722 1.4082 2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 1.7095 3.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 0.7033 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -1.3347 4.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 -0.0541 4.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 -0.9178 6.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 0.8527 6.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6006 0.5826 6.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 -1.0172 5.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -0.8995 7.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9071 -0.3787 -0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 0.8515 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 -0.6156 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -2.9528 -0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9111 -4.0344 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 -2.4540 -0.7601 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 1 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 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 1 0 53 54 1 0 54 55 1 0 55 56 1 0 51 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 49 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 0 24 95 1 0 25 96 1 1 26 97 1 0 26 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 37111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 30 -1 34 1 M END