HMDB0288191 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(17)/22:4(7Z,10Z,13Z,16Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -7.8550 4.8716 -1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9918 5.3358 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3135 4.1878 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 4.7792 1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7279 3.6943 2.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7559 2.8074 3.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9142 2.5912 4.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0656 3.2190 5.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 2.0835 6.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 1.9672 6.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 2.9275 5.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 3.4509 6.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 3.3435 6.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 2.7224 5.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 1.5322 6.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 1.4189 5.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 2.3873 5.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 2.1600 4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 1.9501 2.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 0.8098 2.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 0.3935 2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 -0.6981 2.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 -0.2470 1.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -2.0329 2.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 -2.9054 1.2489 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2076 -3.7598 1.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -4.6175 1.0618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -5.4364 1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -5.3750 2.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -6.3597 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5971 -5.8716 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -4.7656 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 -3.5020 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0631 -3.0406 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 -3.8099 -2.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -3.3924 -3.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 -2.3630 -4.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -1.2271 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -0.0040 -4.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 0.8743 -3.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.8247 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 0.7846 -1.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 1.6551 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 2.8144 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 4.1673 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 5.0710 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 4.6197 -2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 3.8827 -3.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 4.6044 -4.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -3.6189 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -4.4310 -0.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -5.2229 -1.5863 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7141 -6.2745 -2.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.9358 -0.6807 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0970 -4.0420 -2.6418 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 -4.5085 -3.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.3108 -4.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -2.6333 -5.0758 N 0 0 0 0 0 4 0 0 0 0 0 0 1.9432 -3.0832 -4.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -2.7655 -6.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.1862 -4.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3712 4.9900 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1594 3.8042 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8233 5.4474 -1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6279 5.8636 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 6.0202 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1535 3.5626 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 3.5571 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1626 5.3345 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7551 5.5068 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 4.2373 3.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 3.1638 1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 2.2719 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7336 1.8965 4.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4319 4.0138 5.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7919 3.7158 6.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0888 1.3274 6.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 1.1319 6.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6147 3.7179 4.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5225 2.2528 4.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 3.9399 7.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 3.7309 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 3.4894 5.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 2.5690 4.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.6673 6.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 0.4552 6.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4589 2.5167 6.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 3.4427 5.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2969 1.2937 4.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 3.0052 4.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 2.1565 2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 2.8972 2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 -0.1151 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 0.9202 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 1.1688 3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 -0.1829 3.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -2.2378 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 -3.0794 2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 -4.3596 2.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 -7.2510 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -6.8502 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1716 -5.5399 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 -6.7536 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 -4.4905 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 -5.1328 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2915 -2.8944 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5702 -2.0947 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -3.8671 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 -4.9134 -2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 -4.1487 -4.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -2.3105 -5.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 -1.1771 -4.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -1.2442 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.0868 -5.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 1.7310 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.8230 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 0.0874 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4004 -0.0786 -2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 1.4723 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 2.7568 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 2.7540 -0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 4.3937 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 5.2776 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 5.6766 -2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 4.8177 -2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 2.8176 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 3.9994 -3.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 5.3103 -4.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 3.8586 -5.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 5.1776 -5.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.3237 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 -2.9354 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -5.3075 -4.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 -4.9254 -3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 -3.5841 -5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -2.5833 -3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -2.5942 -3.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 -4.1846 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -2.7130 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.0038 -6.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 -2.4201 -6.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -3.7860 -6.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -0.9560 -3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 -0.8054 -4.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -0.6552 -5.5787 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 54 -1 58 1 M END