HMDB0285770 RDKit 3D PC(14:1(9Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 129128 0 0 0 0 0 0 0 0999 V2000 -0.8602 11.8738 -4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 10.8058 -5.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4104 10.1740 -6.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 8.9071 -6.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 7.9291 -5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 6.8990 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 6.2821 -6.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 5.9426 -4.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 5.6415 -3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 4.6540 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 4.3245 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 3.3236 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 3.9460 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 4.0769 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 3.5891 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 2.5410 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 1.7743 2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0682 1.7814 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 0.4608 3.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 0.3232 3.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 1.4532 2.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 1.2756 3.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 0.0484 3.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -0.5338 2.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5532 -0.5582 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -1.7091 4.0525 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7040 -1.6784 4.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2568 -2.8469 3.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2043 -2.9880 2.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 -2.0058 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6639 -4.0662 1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5704 -5.0346 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4657 -4.3246 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3326 -5.1093 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 -6.1129 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 -5.4818 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 -4.4062 -3.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 -3.7668 -4.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 -3.7388 -5.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.3542 -5.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -3.1982 -6.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -3.6750 -6.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 -2.4673 -7.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 -2.8802 4.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 -2.6113 6.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 -3.8080 7.2582 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7168 -3.4834 8.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 -5.2247 6.8670 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.7735 -4.1718 7.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 -3.0480 7.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -3.3131 7.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -4.3364 8.2928 N 0 0 0 0 0 4 0 0 0 0 0 0 1.3906 -4.0997 9.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -4.2461 8.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -5.6744 7.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 11.5665 -4.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 11.8656 -3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 12.8627 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 11.4112 -5.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3357 10.1674 -4.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 10.8284 -7.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 8.5287 -7.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 8.3453 -4.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4881 7.3901 -5.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 7.4683 -6.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 5.4634 -7.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 5.4225 -5.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 6.1479 -3.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 4.1701 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 4.7877 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 2.5878 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 2.7500 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 4.3617 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.5991 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 4.5270 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 3.5020 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2301 2.3172 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 0.9966 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 1.8077 4.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 2.6519 3.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -0.4518 3.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 -0.6890 3.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 2.4524 2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 1.3951 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.1898 3.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 1.2521 4.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9828 -1.9843 3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1193 -0.7921 3.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9805 -1.7351 5.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1543 -3.7147 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 -4.6570 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2328 -5.5466 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 -5.8058 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -3.5301 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 -3.7276 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -4.4970 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9183 -5.6816 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -7.0163 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 -6.5025 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -4.9136 -2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 -6.2400 -3.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 -4.9524 -3.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -3.7051 -2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8872 -3.2529 -4.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -3.2230 -6.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 -4.9185 -4.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 -4.9988 -6.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -2.7779 -7.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -2.4256 -5.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 -4.3521 -7.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -4.2010 -5.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -1.6302 -7.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -2.7043 -7.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 -2.1131 -6.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0365 -3.8342 4.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -2.8387 4.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 -2.5773 8.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -2.2615 6.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7657 -3.6595 6.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 -2.3895 7.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 -4.7567 9.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -3.0471 9.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -4.3334 10.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -3.3107 8.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 -4.1549 7.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 -5.0882 8.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -6.0898 8.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 -6.3421 8.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 -5.6201 6.7283 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 6 27 88 1 0 27 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 53121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 M CHG 2 48 -1 52 1 M END