HMDB0286088 RDKit 3D PC(18:3(10,12,15)-OH(9)/16:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 3.8030 -0.9835 -5.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7694 -2.1572 -6.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -3.0296 -4.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -4.3212 -4.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -5.1777 -3.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -5.7315 -3.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 -5.4826 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 -5.9997 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -5.7150 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 -6.2151 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 -6.8528 0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 -5.0551 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -5.5856 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3925 -4.4746 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5617 -3.6924 -1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 -2.6083 -1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 -1.7779 -2.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8616 -0.6852 -2.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3805 0.2800 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1628 1.1128 -0.6283 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0569 0.2454 -0.7696 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6029 1.1520 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1091 0.9306 0.4368 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3408 1.2183 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 2.5481 -1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 2.9163 -2.6506 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4703 2.1271 -2.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 2.3877 -3.9443 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5292 4.5723 -2.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 5.0366 -2.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 6.5309 -2.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 7.1691 -1.8869 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3899 8.4041 -1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8487 7.5411 -2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 6.3577 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.3922 0.8752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -0.6467 2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 0.3353 2.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 -2.0243 2.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 -2.1457 4.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 -1.6048 4.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -1.7194 5.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -0.9530 6.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 0.5315 6.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 1.1663 6.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 2.6113 6.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 3.2340 5.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 2.6173 4.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 2.7884 2.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 2.1612 1.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.3247 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 1.7115 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 1.8866 -2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 -0.0476 -5.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 -0.8247 -6.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 -1.1845 -5.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 -1.7621 -6.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -2.7462 -7.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 -2.6170 -3.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -4.7678 -5.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -6.0288 -3.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -4.6428 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -6.3417 -4.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -4.8580 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -6.6197 -2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -5.0865 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -6.9530 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -6.9316 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -4.5717 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 -4.2973 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -6.3286 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 -6.0974 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 -3.7579 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 -4.9172 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -3.2823 -1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0119 -4.3763 -2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -1.9987 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5565 -3.1456 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9511 -1.3273 -2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2982 -2.4232 -3.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8202 -1.0898 -1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0005 -0.1084 -3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1129 1.0316 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8225 2.1649 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 1.6149 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 1.1066 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 0.5061 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5379 4.5376 -2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 4.8405 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 6.9485 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 6.6729 -3.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 8.1211 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 9.1567 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 8.8068 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 8.3344 -3.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 7.9792 -2.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 6.6706 -3.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 6.1767 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 5.3929 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 6.9029 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -2.4983 2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -2.6497 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 -3.2536 4.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -1.7435 4.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -2.2017 3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.5559 3.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -2.7663 5.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 -1.3138 5.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -1.1045 7.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 -1.3149 6.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 0.8209 5.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 0.9794 7.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 1.1291 7.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 0.6509 5.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 3.1265 6.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 4.3041 5.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 3.1997 4.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 1.5796 4.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 3.8495 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6892 2.2739 2.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 1.1261 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6268 2.7278 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1696 3.4104 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 1.9259 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 2.2716 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 0.6693 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 1.0441 -2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 2.0099 -2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 2.8033 -2.1182 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 2 0 9 10 1 0 10 11 1 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 0 22 84 1 0 23 85 1 1 24 86 1 0 24 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 33 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 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 53128 1 0 53129 1 0 M CHG 2 28 -1 32 1 M END