HMDB0285692 RDKit 3D PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) 127126 0 0 0 0 0 0 0 0999 V2000 2.1120 -6.1356 -2.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 -4.9790 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 -5.3075 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 -4.1191 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -4.4078 2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 -3.7458 3.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 -2.5492 2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 -1.3790 3.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 -0.1003 3.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 0.0011 3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 -0.5278 3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -0.5463 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 0.6837 4.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 1.8081 3.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 2.7397 4.0658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 2.1292 2.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 3.3540 1.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 3.8996 0.4015 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3222 3.2039 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 2.9130 -0.2315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6090 2.2670 -1.3659 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0326 2.1169 -0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6535 3.3467 -2.6973 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1762 0.7440 -1.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 0.7532 -3.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0273 -0.5374 -3.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8485 -1.6390 -3.5676 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7853 -2.0480 -4.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 -2.7908 -3.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6199 -1.3385 -2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 4.2283 -0.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 5.5184 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 6.3845 -0.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 6.1339 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 5.2938 -1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 4.2953 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 5.0816 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 5.1291 0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 4.4725 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 3.6285 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 2.3877 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 1.5299 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.3681 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 0.0194 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 0.7843 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -0.0316 -1.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -0.2883 -2.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 0.2266 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 -0.9140 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -1.7595 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -2.8451 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -3.7180 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -4.3075 -0.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -6.8571 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -6.7120 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 -5.8274 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7407 -4.7269 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.0897 -1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 -6.2286 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8971 -5.4708 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -3.2189 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5508 -3.9271 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 -5.2950 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -4.0850 4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 -2.3832 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -2.9131 3.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -1.2415 3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 -1.7117 4.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 0.6812 4.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 0.3285 2.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 1.1063 4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7328 -0.4892 5.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -1.5083 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 0.1421 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -0.9835 3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 -1.3345 4.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5606 0.9584 5.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1947 0.4106 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3526 4.0990 2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8225 3.3164 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 4.9143 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4139 3.9104 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8242 2.2814 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6939 1.5405 -3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3851 1.0935 -3.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -0.4641 -5.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -0.7865 -3.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1912 -3.0287 -4.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6157 -1.3568 -4.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2022 -2.2242 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -3.6246 -4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -3.1932 -2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 -2.5265 -3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2072 -0.4162 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3661 -2.1798 -2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9869 -1.3998 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 6.8112 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 6.9147 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 4.7297 -2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2066 5.9042 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 3.7574 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 3.5828 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9948 5.6382 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 5.7672 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 5.3218 -0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 3.9896 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3459 4.1620 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 1.8497 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 1.0538 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 2.0479 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 -0.3164 0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -0.8910 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 1.3547 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2419 1.5447 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -0.4417 -2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -0.9018 -2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 0.8145 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.8179 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 -0.5029 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -1.5341 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 -2.1238 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 -1.1432 -1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -3.4838 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 -2.3152 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -4.5705 0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -3.2319 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -3.5854 -1.3372 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 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 2 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 0 17 80 1 0 18 81 1 1 19 82 1 0 19 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 28 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 M CHG 2 23 -1 27 1 M END