HMDB0285729 RDKit 3D PC(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/14:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 3.0700 5.8748 -1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 4.8406 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9062 5.4889 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 4.4114 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8446 3.5307 1.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 2.2430 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 1.4594 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3011 0.3995 1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 -0.4321 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8775 -1.4833 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 -2.4294 1.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0133 -3.1452 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1829 -4.0688 1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1791 -4.8010 0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 -5.7806 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 -4.3409 1.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -4.8647 0.3117 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1486 -3.8893 -0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 -2.8096 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -1.8627 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -1.8767 0.9023 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -0.7247 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 -0.8157 2.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 0.2584 3.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 1.6596 3.5202 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6849 1.8512 3.8604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 2.4486 2.3284 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2307 3.8245 2.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 2.3409 1.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 1.7543 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 1.7127 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 1.0997 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 1.0850 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 0.5020 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6381 -0.1619 -3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1735 -0.7402 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3954 -1.4545 -5.1530 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2783 -2.0782 -4.6524 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -0.8455 -6.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 0.4916 -6.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 0.9061 -6.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 0.9335 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 1.4584 -5.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -5.3132 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 -4.2481 2.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 -4.7181 3.1566 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3792 -4.4555 4.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 -6.3425 2.8915 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2579 -3.8009 2.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 -3.3022 3.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0948 -2.5115 3.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9185 -1.9098 4.3544 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2316 -2.5206 4.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1616 -0.5238 3.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2431 -1.8675 5.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 6.8837 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1547 5.7721 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 5.8644 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4381 4.1927 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 4.1754 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 6.0801 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 6.1350 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 4.9738 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4113 3.9216 0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 4.0208 2.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0386 1.7136 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 0.9689 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1585 2.0396 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -0.2248 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0187 0.8872 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 0.2744 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4395 -0.9305 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -2.1042 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 -0.9863 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -1.8686 2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6645 -3.1691 2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 -3.8055 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 -2.4673 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -4.8255 2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -3.4958 2.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 -5.7350 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 -4.4248 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 -3.5705 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -0.7856 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.1824 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 -0.8207 3.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 -1.8369 3.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 0.0825 3.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 0.0155 4.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 2.2110 4.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 1.0757 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 2.3442 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 4.0270 2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 2.8003 2.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 1.2939 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0146 2.1737 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.6573 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7875 1.5759 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6228 0.5038 -2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 -0.2279 -2.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -0.6782 -4.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0926 -2.4131 -5.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -2.4170 -3.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3883 -0.9014 -6.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7715 -1.5797 -7.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 1.2945 -6.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 0.7649 -7.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 1.9400 -6.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 0.2579 -7.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 -0.0414 -4.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 1.6315 -4.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5771 2.5414 -5.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 0.9890 -5.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 1.2004 -4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -6.1102 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -5.7782 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 -2.6592 4.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 -4.1983 4.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7166 -3.2436 2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -1.7498 2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6192 -2.6674 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8966 -1.7706 4.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2138 -3.4894 4.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 -0.1859 4.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 -0.3645 2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 0.1678 4.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 -2.8580 5.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 -1.2080 5.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -1.3607 6.4072 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 2 0 6 7 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 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 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 6 18 82 1 0 18 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 27 92 1 6 28 93 1 0 29 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 6 38103 1 0 39104 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