HMDB0288080 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(20)/22:3(10Z,13Z,16Z)) 150149 0 0 0 0 0 0 0 0999 V2000 2.8082 3.9723 -5.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 5.4328 -5.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 6.1272 -5.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 7.5856 -6.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 8.3786 -4.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 8.2455 -3.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 9.0130 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 8.4506 -1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 7.0020 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 6.7655 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 6.0069 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 5.3056 -1.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 3.8199 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4551 3.0095 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 3.4864 -2.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 2.8797 -3.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 1.4265 -4.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 0.7103 -3.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -0.7572 -3.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 -1.5002 -2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 -1.6905 -1.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 -2.4816 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 -2.8529 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 -2.2906 0.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -3.8836 1.3759 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 -4.3246 2.4471 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9832 -4.9426 3.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 -4.4143 4.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -3.4404 5.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -2.9326 5.4167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5225 -3.0220 6.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -2.1644 7.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 -0.7812 7.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 0.0181 6.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 0.5499 5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 0.4318 4.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 -0.2351 3.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 0.3481 2.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 1.7110 1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5894 2.6353 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 2.4049 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 1.1755 1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 0.7658 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 0.6136 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 0.8253 1.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 -0.4850 2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -0.1974 3.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 -1.4778 3.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 -1.2408 4.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1898 -2.4667 5.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -5.6389 1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -6.3475 1.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 -7.7821 0.5642 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6164 -8.9532 1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5002 -7.7300 -0.6169 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8028 -8.1830 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -9.1012 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -9.4844 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -8.4019 -0.1461 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2878 -8.7622 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -7.2358 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -7.9937 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 3.3343 -6.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7134 3.8928 -4.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 3.5853 -4.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 5.8489 -4.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 5.4431 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 5.6288 -6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 5.9049 -5.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 8.0784 -6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0619 7.6637 -6.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 9.4258 -5.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 7.9250 -4.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 8.6691 -4.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 7.1861 -3.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9141 10.1141 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 9.1549 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 6.3770 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 6.8123 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 7.2651 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 5.8930 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 5.6504 -2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 5.5805 -2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3887 3.3594 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 1.9296 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 2.9798 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 4.5291 -2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 3.3683 -4.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 3.2637 -4.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 1.1577 -5.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 0.8970 -3.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 1.0822 -4.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 0.9713 -2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -0.8850 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 -1.2807 -3.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 -1.0628 -2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7816 -2.5352 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 -0.6858 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 -2.2671 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 -3.4076 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -1.9192 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 -3.7042 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -5.5704 4.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 -5.8744 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -2.4704 6.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -3.9498 6.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9677 -2.6672 8.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -2.0364 8.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9343 -0.2447 8.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -0.9050 6.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 0.1888 7.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 1.1501 5.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 1.3878 4.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9778 -0.2615 4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -1.2901 3.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -0.2389 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 1.7592 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 2.1660 2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 3.7076 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 3.3120 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 0.3209 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2355 1.4730 2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 0.5751 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 0.3090 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 1.5632 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 1.2012 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 -0.7770 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -1.2974 2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 0.1860 4.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7495 0.5300 3.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 -1.7549 2.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 -2.2761 3.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9771 -0.9492 5.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 -0.4996 4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 -3.2064 4.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -5.1377 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 -6.0391 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 -8.8019 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 -10.0395 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 -10.2153 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 -9.9768 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -9.7790 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -8.5843 -2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0825 -7.9984 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 -6.4931 -1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 -7.4918 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -6.6543 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 -7.7891 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 -8.7043 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -7.0349 0.9289 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 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 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 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 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 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 51136 1 0 51137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 55 -1 59 1 M END