HMDB0287875 RDKit 3D PC(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 151150 0 0 0 0 0 0 0 0999 V2000 6.1109 -3.1117 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8019 -1.7932 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -1.6856 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0911 -0.3734 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7381 -0.2054 1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 1.0876 1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6472 2.3236 1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6638 2.5418 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9754 3.8243 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 4.0465 2.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 3.0163 2.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 3.5043 3.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 2.6139 3.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 3.1995 5.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 2.3517 5.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 2.9909 6.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 2.4950 7.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 1.1499 7.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -0.0538 6.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 0.0054 5.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -1.1619 5.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 -1.3751 4.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 -0.5435 4.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -2.4661 3.3633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.6213 2.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -3.8375 1.7063 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2777 -3.8654 0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 -2.7581 0.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -2.5687 -0.9031 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6040 -1.9353 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -4.0786 -1.4612 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2118 -1.4905 -2.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7557 -0.2195 -1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.6939 -3.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 2.0336 -2.8252 N 0 0 0 0 0 4 0 0 0 0 0 0 4.4066 2.0763 -2.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5407 2.6042 -1.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 2.8781 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 -3.9507 0.8252 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9051 -5.0923 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6006 -6.0117 1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -5.3154 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5876 -4.1779 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -3.4812 -1.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -2.4054 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -1.1145 -2.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -0.5444 -1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 0.3756 -0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 0.9046 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 0.7884 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 -0.1188 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 0.1818 -1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4025 1.5812 -2.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 1.8546 -3.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9663 2.2159 -4.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3777 2.3989 -4.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2661 1.4628 -4.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9482 0.0133 -4.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8165 -0.9082 -5.5221 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6191 -0.6342 -6.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1313 -0.6998 -5.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 -3.5348 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 -3.8620 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -2.9874 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1273 -0.9469 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 -1.7240 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 -1.7837 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 -2.5559 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 0.4315 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -0.2963 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4528 -1.0244 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 -0.2300 2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1926 1.1143 0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0558 1.1410 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1155 2.2754 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2930 3.2240 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 2.7139 3.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0063 1.6833 2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 4.6763 2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 5.0572 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 2.0221 2.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 2.9539 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 4.4804 3.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 3.7480 4.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 1.5883 4.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 2.6253 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.2298 6.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 4.1994 4.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 2.1585 4.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 1.3658 5.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 3.0384 7.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 4.1087 6.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 2.7208 6.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 3.2147 8.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2821 1.1520 8.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 1.1197 8.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.2059 6.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -0.9340 7.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 0.9877 5.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3247 0.0341 6.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -1.0168 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 -2.0761 5.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -2.4876 3.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 -1.7196 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 -4.7412 2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -3.7489 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 -4.7643 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 0.1101 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 -0.3446 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 0.7811 -3.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 0.2649 -3.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 3.0921 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 1.9358 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8287 1.3581 -3.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 2.3130 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 3.7226 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 2.2632 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 3.8934 -3.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 2.4796 -4.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 2.8313 -3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8441 -6.1413 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 -5.7510 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 -4.5869 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1297 -3.4383 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -3.2431 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 -4.2602 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 -2.6930 -3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -0.4609 -3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 -1.3812 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -0.0128 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 0.7404 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 1.6701 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 0.4493 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9563 1.8260 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1238 -1.2286 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5578 -0.6021 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 2.3284 -1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4527 1.8134 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 1.7409 -3.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6626 2.4059 -5.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6418 3.4269 -4.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7107 2.4781 -3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3155 1.6339 -4.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0380 1.6755 -6.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8588 -0.1881 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1334 -0.2092 -3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5270 -1.9501 -5.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7088 -0.0203 -7.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5103 -0.0858 -7.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4548 -1.5865 -7.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6331 -1.5137 -5.3313 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 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 2 0 22 24 1 0 24 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 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 36112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 38120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 6 60148 1 0 60149 1 0 60150 1 0 61151 1 0 M CHG 2 31 -1 35 1 M END