HMDB0008118 RDKit 3D PC(18:1(9Z)/22:1(13Z)) 150149 0 0 0 0 0 0 0 0999 V2000 -6.2303 -3.5573 -3.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 -4.8054 -3.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8553 -4.4086 -5.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 -5.5883 -6.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5393 -6.4868 -5.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 -5.7491 -5.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 -6.7024 -5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -5.8977 -5.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -6.6581 -5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 -6.4731 -4.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0151 -5.4303 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -4.3672 -3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -3.3392 -2.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -2.5857 -1.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2644 -3.3186 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -2.3877 -1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -3.1428 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -3.4987 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 -2.2630 1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7503 -2.7473 3.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 -1.7497 4.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -0.5300 4.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 -0.3795 3.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 0.4974 5.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 1.7045 5.2337 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4988 2.0313 6.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6773 1.3084 6.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 1.2944 5.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 1.9736 4.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 0.5411 5.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 0.7112 4.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -0.0288 3.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 0.2031 1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 -0.7817 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 -0.7520 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7882 0.3650 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 1.7066 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 2.5594 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7728 2.2063 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 3.0696 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9902 4.5129 -1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 5.4613 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 5.6142 -3.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 4.4396 -4.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 4.1085 -3.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 2.8972 -4.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 2.8852 4.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 2.7633 3.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 3.9656 3.2748 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1719 3.4236 2.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 4.7310 4.7068 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2525 5.1653 2.3129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 5.9487 2.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 6.9978 1.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 7.8541 2.5953 N 0 0 0 0 0 4 0 0 0 0 0 0 1.4714 7.1823 2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 8.4030 3.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 8.9748 1.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7286 -2.7075 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3031 -3.2797 -2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7222 -3.6269 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1978 -5.3788 -3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9704 -5.4597 -3.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 -3.7365 -5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7789 -3.8695 -5.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6557 -5.2414 -7.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6577 -6.1817 -6.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 -6.9795 -4.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -7.2712 -6.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -4.9182 -5.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -5.3340 -6.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -7.0517 -4.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0585 -7.5312 -6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 -4.9669 -5.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 -5.5726 -6.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 -7.4541 -6.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 -7.0778 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -5.9509 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -5.0554 -3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 -4.8821 -3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -3.8082 -4.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -3.6755 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 -2.5339 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -2.1508 -2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -1.6913 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 -3.4636 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 -4.2905 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -1.5066 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 -2.1749 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6731 -4.1256 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -2.6537 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -4.0967 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 -4.1862 1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 -1.7895 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 -1.6271 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 -3.3486 3.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 -3.4974 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 -2.3081 5.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8414 -1.4762 4.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 1.8019 4.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 3.1468 6.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 1.8193 7.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 -0.5378 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 0.9301 6.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7631 0.2528 4.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9372 1.7676 4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0106 0.1551 3.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 -1.1480 3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8197 0.0193 1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 1.2122 1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 -0.5159 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 -1.8090 1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 -1.7023 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 -0.8873 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 0.1931 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 0.2102 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 2.0644 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 3.5694 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 1.1687 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 2.5533 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 2.5816 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 2.9712 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8508 4.6854 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 4.9092 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 5.2657 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 6.4899 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4666 6.5249 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 5.9793 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 3.5172 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 4.6881 -5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 4.9406 -3.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 3.8469 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 2.9970 -4.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 2.0095 -3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 2.7304 -5.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 3.7746 5.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 2.9887 5.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 6.4486 3.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4158 5.3595 3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3089 6.5224 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 7.6411 1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 6.9168 3.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 7.8704 2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 6.2943 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 8.8363 3.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 9.2568 4.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 7.6883 4.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 9.7605 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 8.6519 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 9.4331 1.8669 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 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 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 6 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 56142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 58150 1 0 M CHG 2 51 -1 55 1 M END