HMDB0289716 RDKit 3D PC(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/P-18:1(11Z)) 140139 0 0 0 0 0 0 0 0999 V2000 8.8810 0.2312 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0508 0.6508 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5816 2.0434 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3196 2.3672 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 1.3824 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 1.6412 1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1411 1.5223 2.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 0.6644 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -0.6276 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 -1.6908 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 -2.9254 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -4.0891 1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -5.0748 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 -5.0687 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -3.9996 -1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -3.7922 -2.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -2.7211 -3.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -1.4869 -2.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -0.2915 -3.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 0.6634 -3.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 0.6636 -4.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 1.8294 -3.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 1.9973 -2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 1.4884 -1.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 2.6275 -1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4962 2.7768 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 3.6761 0.3816 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6826 3.6170 1.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 2.3122 2.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 2.1075 3.9461 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5660 1.8422 4.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 3.4267 4.7770 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.2170 0.7235 4.3817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -0.3481 4.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 -1.6064 4.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -1.5903 6.1350 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2187 -0.4703 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 -1.6192 5.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -2.8555 6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 3.2922 -0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 4.1859 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 4.0570 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 5.0237 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9611 6.0365 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5061 5.3095 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4812 6.1126 -1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1417 5.3368 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 3.9363 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3399 3.2851 -4.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 1.8032 -4.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5127 1.0472 -3.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8451 0.2976 -2.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 0.0265 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 -1.4807 -2.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -1.9597 -2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 -3.4618 -3.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 -4.1414 -3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8475 -3.9903 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8471 0.7319 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3046 0.4803 -2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9874 -0.8860 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 -0.1041 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8054 0.6371 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3094 2.8652 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 3.4477 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4903 0.3407 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.6536 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 2.6897 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 1.9327 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 0.9698 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 -0.9098 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 -1.4305 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -3.1128 1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -3.7623 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -4.6005 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -6.0272 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 -5.9726 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 -3.0548 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5436 -4.4064 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 -4.6660 -3.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.7103 -4.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 -1.5339 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -1.3786 -2.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -0.1899 -3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 1.5224 -4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -0.2915 -3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 0.6782 -5.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 1.8688 -4.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 2.7868 -4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 3.0736 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 1.7651 0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 4.7122 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 3.8502 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 4.3479 2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 -0.5137 3.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 -0.0693 5.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 -1.9280 4.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 -2.4056 5.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 0.4150 6.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 -0.7343 7.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 -0.1283 7.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -2.5231 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0323 -0.7502 5.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 -1.5767 6.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.9780 6.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -3.7040 6.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 -2.9049 7.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 5.0561 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 3.1485 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7696 4.4246 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 5.4509 2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 6.8455 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 6.4764 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0687 4.3084 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 5.2053 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4547 6.4486 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 7.0126 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2436 5.3536 -2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 5.8902 -3.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 3.9787 -3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7659 3.2906 -2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4376 3.4506 -4.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0502 3.7523 -5.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6285 1.4836 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 1.7417 -4.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 1.1372 -3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3565 -0.2325 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 0.3339 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 0.5010 -3.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 -1.7705 -3.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8263 -1.9887 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 -1.5142 -3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -1.7765 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -3.9441 -2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 -3.6001 -4.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -5.2414 -3.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9621 -3.8482 -4.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 -3.4452 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -4.9945 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 -3.5120 -1.0985 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 1 0 6 8 1 0 8 9 2 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 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 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 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 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 1 28 93 1 0 28 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 37 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 39107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 M CHG 2 32 -1 36 1 M END