HMDB0289294 RDKit 3D PC(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/DiMe(9,3)) 138138 0 0 0 0 0 0 0 0999 V2000 3.1468 -7.9245 4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -7.0596 3.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 -5.7818 2.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -5.3962 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 -6.2194 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0564 -6.4485 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 -6.0753 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 -5.3652 -2.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 -6.1094 -3.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 -5.7269 -4.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 -4.4259 -4.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -3.6332 -5.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -2.4689 -5.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 -1.7612 -4.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 -0.5056 -4.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.6693 -4.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 0.8589 -3.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 2.0468 -2.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 3.3200 -3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 3.3511 -3.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 3.7088 -4.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 3.8029 -5.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 2.5232 -4.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4369 1.5105 -5.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 2.3625 -3.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 1.1596 -3.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 1.3758 -2.4032 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7136 0.0744 -1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.4965 -2.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 -1.9482 -1.6121 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1769 -2.2177 -0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7017 -1.7255 -0.9060 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1429 -3.2524 -2.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4282 -3.4191 -3.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3651 -4.6061 -4.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6332 -4.8744 -4.7864 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6787 -6.2047 -5.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7406 -4.7530 -3.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8476 -3.9149 -5.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2048 2.3563 -2.4346 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 3.5206 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 3.6458 -0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 4.5423 -1.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 5.5795 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 4.9471 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 5.8982 1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 6.6165 1.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 7.5398 2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 6.8258 4.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 5.8274 4.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 5.0882 5.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8287 5.0674 6.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 4.2830 7.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 3.9793 8.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 2.5780 8.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5698 2.4424 7.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8424 3.7634 7.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 2.8352 7.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 4.2801 5.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 4.0131 4.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 -7.8109 5.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 -9.0080 3.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -7.6318 4.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -6.9129 3.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 -7.6253 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 -5.1052 3.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -4.3935 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -7.2452 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 -5.8213 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -6.9757 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5746 -6.2911 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -5.1548 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -4.3250 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 -7.0940 -3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -6.3248 -5.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4604 -4.6972 -5.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -3.9486 -3.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -4.0970 -6.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -1.8928 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -1.6173 -3.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3046 -2.2965 -3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 -0.6326 -5.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 1.5682 -4.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1245 0.0222 -2.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 2.0759 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 4.1253 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 4.1304 -2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 4.7605 -5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 3.1151 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 4.5316 -4.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6809 4.1846 -6.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 0.4209 -3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 0.7134 -4.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4703 1.7563 -1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0247 0.2284 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -0.6170 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 -2.4935 -3.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 -3.5443 -2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 -4.4469 -4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -5.5271 -3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -6.5476 -5.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1042 -6.9362 -4.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3017 -6.2549 -6.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1867 -3.7473 -3.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4461 -5.1109 -2.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5417 -5.4348 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8455 -3.6192 -6.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -3.0083 -5.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4098 -4.4196 -6.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 5.0784 -2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 4.0996 -1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 6.3780 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 6.0949 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 4.0571 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1852 4.5680 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 6.6567 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 5.3185 2.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 5.9498 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 7.2639 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 7.9897 2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 8.3788 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 7.5417 5.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 6.2415 4.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 6.4419 4.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 5.1039 3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 4.7192 9.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 4.0025 9.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 1.9050 8.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 2.2459 9.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 1.9642 8.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 1.8177 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 3.4532 7.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 2.9696 8.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.7753 7.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.0329 7.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 4.8318 5.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 3.0171 5.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 4.0590 3.8409 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 2 0 18 19 1 0 19 20 1 0 19 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 41 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 53 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 51 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 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 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 1 28 95 1 0 28 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 37101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 39109 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 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 58133 1 0 58134 1 0 58135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 32 -1 36 1 M END