HMDB0289690 RDKit 3D PC(18:1(12Z)-O(9S,10R)/P-18:1(11Z)) 136136 0 0 0 0 0 0 0 0999 V2000 -4.5671 -3.1186 1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 -3.9731 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 -4.9053 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 -5.8255 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 -6.8120 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -7.6339 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 -7.7810 4.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -7.1601 4.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -6.2603 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 -5.7377 5.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -4.8969 4.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6205 -3.7559 4.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -3.8018 6.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 -2.5358 6.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -1.2522 6.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.0136 7.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -1.6709 7.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7853 -1.4404 6.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 -1.7660 5.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -2.9624 4.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 -0.7940 4.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -1.1500 2.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 0.1091 2.2030 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0501 0.6088 2.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 1.7591 2.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9082 2.2313 3.3481 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5841 1.0127 3.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 3.1908 4.6502 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0101 3.1667 2.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1158 3.4944 3.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1298 4.3121 2.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6027 5.5814 2.0280 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2304 5.5129 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 6.5694 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4853 6.0538 2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -0.2416 0.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 0.3655 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 0.4058 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 1.1654 -2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4255 0.2096 -3.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 -0.9261 -3.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -1.8820 -4.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 -1.2516 -5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -0.7178 -6.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -1.8109 -6.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 -1.3095 -6.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -0.6975 -7.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 0.5525 -8.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 1.5456 -6.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 2.0645 -7.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 2.7310 -8.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 3.9015 -8.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 4.5331 -10.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 5.7181 -10.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 -2.4374 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9247 -3.7056 2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 -2.5259 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0551 -4.5117 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 -3.3021 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -4.3421 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -5.5252 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 -5.3037 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 -6.4096 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -7.3937 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -6.1873 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 -8.2311 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 -8.5108 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -8.0693 5.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 -6.7237 5.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3063 -6.8718 3.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.5066 3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 -2.7783 4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -3.6508 4.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4163 -4.6128 6.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 -4.0095 6.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 -2.7322 8.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -2.4526 6.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -1.0223 5.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 -0.4376 7.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8178 0.1312 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2279 -0.9347 8.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 -2.7729 7.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4635 -1.2819 8.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 -2.0177 6.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -0.3542 6.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 -1.9700 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -1.4366 2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 0.8495 2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 -0.1607 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 0.9078 3.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6555 2.5793 3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 4.0870 4.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 3.7781 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 4.5374 3.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 4.6422 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 6.4561 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 5.3936 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 7.4382 1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 6.8663 3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6392 6.1084 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 6.1068 3.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 7.0980 2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5698 5.4621 2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 0.9382 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.1058 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 1.6817 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 1.9406 -1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -0.2140 -2.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 0.6976 -4.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4343 -1.5030 -2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 -0.5735 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -2.7620 -4.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -2.2292 -4.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -0.4726 -5.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -2.0505 -6.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 0.1071 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -0.3240 -7.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 -2.3967 -5.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -2.5762 -6.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 -0.6390 -5.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5877 -2.2008 -6.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -1.3018 -8.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 0.8911 -9.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 2.4204 -7.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 1.1268 -5.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 2.7843 -6.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7778 1.1679 -7.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 3.1428 -8.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 2.0245 -9.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 3.5006 -8.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5062 4.6366 -7.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 4.8387 -9.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7269 3.7900 -10.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 5.3949 -10.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 6.5131 -9.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 6.1022 -11.3694 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 2 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 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 38 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 1 0 47 48 2 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 11 9 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 28 -1 32 1 M END