HMDB0008517 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 140139 0 0 0 0 0 0 0 0999 V2000 -4.3438 -0.4657 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -1.6845 2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 -2.1076 3.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6468 -3.2826 3.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -4.3206 2.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1208 -4.7376 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 -4.6443 1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0335 -4.0915 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0117 -5.1161 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5556 -4.9514 -2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2607 -3.7360 -2.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6231 -3.1585 -3.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0629 -1.9863 -3.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9891 -1.0357 -2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5779 -0.6565 -2.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 0.5801 -2.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 1.6973 -2.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1512 2.6957 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 3.3179 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 4.2207 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 4.9242 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 4.0745 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 2.8894 0.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 4.5600 1.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 3.7737 1.6015 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5815 3.1650 3.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 2.4056 3.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 1.6213 4.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.6242 5.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 0.8616 4.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 -0.2022 5.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0213 -1.2336 5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -2.2828 6.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 -3.5420 5.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 -4.1183 4.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6317 -5.1007 4.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0327 -5.0497 2.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -3.9392 2.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 -3.2600 1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -3.1637 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -3.7330 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 -2.6141 -1.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 -2.2704 -2.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -2.8583 -1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 -3.4533 -2.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -3.5918 -3.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -3.1699 -4.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 -2.1209 -5.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 4.4225 1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1043 3.6324 1.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 4.5284 1.4327 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2076 6.0075 1.7011 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 4.1107 2.5771 O 0 0 0 0 0 1 0 0 0 0 0 0 5.1817 4.4367 -0.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 3.5428 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 3.5677 -2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 2.6020 -3.1542 N 0 0 0 0 0 4 0 0 0 0 0 0 4.5361 3.0915 -4.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 2.2487 -2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 1.3973 -3.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 -0.4762 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8489 0.4782 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 -0.4611 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -2.3865 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 -1.3178 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -1.3551 4.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 -3.5187 4.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0725 -4.2449 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 -5.2569 3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6852 -5.1570 3.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7787 -4.9679 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -3.7756 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6825 -3.2575 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5154 -6.0910 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 -5.7775 -2.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3101 -4.0583 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5102 -2.9962 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5976 -3.7733 -4.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6198 -1.6481 -4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -0.2116 -2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 -1.5803 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -1.4921 -2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 0.7824 -2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0438 1.5147 -3.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5266 2.2469 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 2.2145 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 3.4829 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 2.5681 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5817 3.9755 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3897 3.7213 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6447 5.0253 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 5.6004 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 5.6511 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 2.8496 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 3.9291 3.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2538 2.4483 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 1.4821 4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 0.3114 3.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0356 -0.7386 5.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8719 0.2117 6.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.6752 5.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 -1.5908 4.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -2.0391 7.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -4.3040 6.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 -3.4089 3.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -4.7808 4.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -5.9620 4.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -5.8444 2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -4.2832 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 -3.1868 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -2.8188 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -2.6292 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -4.4364 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 -4.3252 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 -2.0266 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 -1.3912 -2.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.1650 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 -3.6993 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8521 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -4.0928 -4.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 -4.0929 -5.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5067 -3.1294 -4.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -2.4501 -6.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -2.1575 -6.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -1.1104 -5.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 5.2626 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 4.8454 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 2.5162 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 3.7334 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 4.5832 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 3.3531 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 3.7861 -4.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 2.2543 -5.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4053 3.6932 -4.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 1.4462 -3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 1.7853 -1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 3.0728 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 1.5366 -3.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0387 1.2831 -2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 0.4794 -3.2675 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 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 2 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 45 46 2 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 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 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END