HMDB0287989 RDKit 3D PC(22:2(13Z,16Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 149148 0 0 0 0 0 0 0 0999 V2000 10.1134 -6.7822 -3.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0038 -5.7356 -3.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7203 -6.4265 -2.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -5.6112 -2.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 -4.6181 -1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 -3.4550 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 -2.2415 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3436 -1.8714 -1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0677 -1.0821 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 0.1366 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3813 0.9095 -1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 1.3746 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 2.1601 -2.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 2.7550 -3.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 3.7526 -2.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 3.4164 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 2.3383 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 2.0612 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 1.0279 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0977 0.7127 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 0.1027 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 -1.2314 2.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -2.2422 2.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -1.5874 1.7647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.9812 1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 -3.0565 0.9477 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1052 -2.2150 1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -2.6732 3.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.6468 3.9983 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9247 -2.4735 4.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 -0.7721 3.0084 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1766 -0.5628 4.9078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 0.0783 5.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 1.0141 6.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4226 2.0636 5.9519 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2354 2.4682 6.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 3.2244 5.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 1.6559 4.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 -2.5290 -0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 -3.2496 -1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 -4.4293 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.5669 -2.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.0706 -3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -2.8182 -2.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 -1.4086 -2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -0.6612 -2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -1.1937 -3.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 -0.4305 -4.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7857 0.2007 -4.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8386 0.2002 -4.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0038 0.8455 -4.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0438 0.7985 -3.0959 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5170 -0.5371 -3.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4229 0.9970 -1.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7467 2.2966 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 3.1704 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1061 3.0396 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1480 4.1286 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2054 3.9979 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5975 4.1146 2.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6901 3.9864 3.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4078 -6.7779 -4.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0254 -6.5425 -2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7654 -7.8013 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9394 -5.1341 -4.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4027 -5.1121 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 -7.1903 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 -7.1312 -3.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6739 -6.3559 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -5.1592 -3.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 -4.4055 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6558 -5.2275 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3639 -3.4998 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.3839 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -1.3206 -2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -2.6936 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -1.5969 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 0.6312 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 0.4958 -2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 1.9152 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 0.4188 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 1.8717 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 1.4444 -3.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 2.9186 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 1.9415 -3.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 3.2863 -4.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 4.6505 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 4.2426 -2.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 3.2174 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 4.3585 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 1.4040 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 2.6553 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 1.6550 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 2.9784 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 1.3345 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9197 0.1030 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9069 -0.0378 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 1.6380 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 0.0195 3.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 0.7732 2.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0301 -3.4515 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -3.4442 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 -4.1079 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 -2.2986 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -1.1580 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 0.6032 5.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -0.6834 6.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 1.5130 7.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 0.4375 7.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 3.4698 6.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 2.5425 7.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 1.7513 6.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7105 4.1217 6.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 3.1294 6.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5622 3.4149 4.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 2.4977 4.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.5734 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 0.7771 4.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.4704 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -2.8832 -3.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -4.1089 -3.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2509 -2.4349 -4.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 -3.3166 -1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -3.3727 -3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 -0.9197 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.3842 -2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 -1.2149 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 -2.2848 -3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 -0.3857 -5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9258 0.7525 -5.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 -0.3479 -3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1809 1.4048 -5.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8722 1.4740 -3.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7592 -1.0621 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 0.1855 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3073 0.9167 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9597 2.5471 -2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5178 4.1238 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 3.2809 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5412 2.0577 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6802 4.0349 -0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 5.1024 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8005 3.0708 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9003 4.8552 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1083 5.0961 2.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8540 3.3345 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3326 4.5467 4.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7902 2.9232 4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6387 4.4403 3.4253 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 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 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 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 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 36110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 49130 1 0 50131 1 0 51132 1 0 52133 1 6 53134 1 0 54135 1 0 54136 1 0 55137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M CHG 2 31 -1 35 1 M END