HMDB0288118 RDKit 3D PC(20:3(8Z,11Z,14Z)-2OH(5,6)/22:3(10Z,13Z,16Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -0.7831 6.1247 -0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 5.2290 -1.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 4.1951 -2.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 4.9635 -3.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 4.1003 -4.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 4.9763 -4.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 4.9638 -4.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 4.0763 -3.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 4.9213 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 4.8543 -1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 3.9048 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4564 3.0863 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 3.0107 1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 3.7325 2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 2.7613 2.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 3.5301 3.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 2.1980 4.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 3.2897 4.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 1.3408 5.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 0.1048 4.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -0.7923 3.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0424 -2.0210 3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -2.2277 3.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 -2.9591 2.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -4.1474 1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -4.1436 0.9061 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8031 -3.2012 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 -3.5834 -0.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -2.5411 -2.0118 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2813 -1.6636 -2.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -3.3685 -3.3613 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7531 -1.5730 -1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 -2.0648 -1.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1271 -1.2421 -1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 -1.2033 0.1205 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1590 -1.9622 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -1.7777 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 0.1417 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.7543 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -4.6278 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -5.7450 0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 -4.4162 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1694 -3.7553 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5428 -3.6348 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5006 -2.9523 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 -2.8841 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8547 -2.1743 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -0.7000 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4494 -0.0444 -0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1720 -0.5495 -2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9768 0.1775 -3.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9862 1.5987 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 2.3785 -4.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 2.1283 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 0.8165 -4.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 1.1528 -3.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2478 0.9319 -2.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 0.2705 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8693 1.3729 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 1.1642 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.1225 1.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 0.0752 3.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.9577 4.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3798 6.9847 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 5.6029 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 6.5123 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 5.8878 -2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 4.6906 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 3.5846 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 3.5259 -3.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 5.7285 -2.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 5.5348 -4.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 3.2939 -3.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 3.5968 -4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 5.6759 -5.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 5.6725 -5.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 3.6155 -4.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 3.2126 -3.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 5.6283 -3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 5.5246 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 3.3453 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 4.6081 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 2.4844 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 2.3725 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 4.3812 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 4.3671 2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 2.0467 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 3.8477 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 1.6144 3.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 3.9757 4.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.9739 5.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 1.0110 5.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -0.4611 5.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9203 0.4102 3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -0.2862 2.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -1.0669 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 -4.6074 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 -4.9020 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 -5.1595 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 -2.1639 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 -3.2253 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9912 -1.9733 -2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -3.1265 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0751 -1.5912 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9809 -0.2017 -1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 -2.0697 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0444 -2.9922 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 -1.4033 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4670 -2.8866 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6718 -1.6215 1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3229 -1.3385 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9928 0.3399 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 0.8878 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 0.3157 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -3.7928 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 -5.3895 2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 -2.8187 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 -4.4115 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 -3.2166 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 -4.6941 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1295 -2.0164 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5928 -3.6816 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -3.8857 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7833 -2.3288 2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9045 -2.3090 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8007 -2.6351 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -0.2438 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4688 -0.6141 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2934 1.0314 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4754 -0.2873 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1216 -1.6505 -2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7674 -0.4039 -4.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2762 2.1418 -2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9696 1.8116 -4.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2384 3.4799 -4.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 2.9126 -4.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 0.3552 -5.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 0.1189 -3.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 1.6768 -4.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 1.2350 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2531 -0.5658 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9445 0.0273 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 2.2261 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 1.7734 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 2.1524 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4832 1.0745 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 0.4032 2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 -0.8829 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4987 -0.1373 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2748 1.0669 3.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 -0.5285 5.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 -1.4747 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5657 -1.7769 4.3683 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 1 0 15 17 1 0 17 18 1 0 17 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 36106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 38114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 63153 1 0 M CHG 2 31 -1 35 1 M END