HMDB0277447 RDKit 3D PI(20:3(8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 148148 0 0 0 0 0 0 0 0999 V2000 3.8346 -7.6443 3.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4689 -6.9000 5.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8936 -7.2119 5.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 -6.3913 5.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7336 -4.9588 4.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 -4.1126 6.0975 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5003 -4.5315 7.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9526 -2.6727 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -2.1841 4.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -0.7642 4.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.1902 3.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 -0.9736 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 -0.3765 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 0.1274 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 0.1503 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2701 0.6868 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 0.7271 -1.7596 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7497 -0.0133 -2.9618 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 2.1087 -2.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 2.4423 -2.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 1.3947 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 1.6799 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 1.7201 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 0.4786 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 0.4672 1.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -0.7919 -0.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -1.9434 0.6767 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2960 -2.5917 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 -2.9680 -1.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -3.5205 -2.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -3.6604 -1.9279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -3.9535 -3.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 -2.7378 -4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -3.1150 -5.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.9274 -6.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -0.7791 -6.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 0.3689 -7.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 1.5411 -7.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 2.7101 -7.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 2.9747 -6.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 3.9934 -7.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 5.0994 -6.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 5.4189 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 5.5367 -4.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 6.5971 -4.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 7.8502 -3.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 8.1270 -2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6105 9.4131 -2.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 9.7038 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 9.7858 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -2.8691 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -2.2152 1.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3763 -3.2468 1.4492 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4803 -3.9111 0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -4.4647 2.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8194 -2.4258 1.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -1.6111 2.8373 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0126 -0.1830 2.3298 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0197 0.1804 1.4279 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 0.8063 3.4515 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4116 2.0380 2.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9696 0.4645 4.5519 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5646 1.1970 5.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 -0.9798 4.9276 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1836 -1.2175 5.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9623 -1.9172 3.7414 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1208 -1.8017 2.9617 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -6.9151 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 -8.1447 4.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 -8.3939 3.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1973 -5.8528 4.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 -7.2549 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -8.2749 5.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -6.7916 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 -4.6815 4.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 -4.6452 4.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3131 -4.2945 6.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5407 -4.3511 7.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 -1.9917 6.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -2.9076 3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4078 -0.0947 5.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 0.8976 3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 -0.8273 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 -2.0196 2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 -0.3646 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 0.5493 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -0.2263 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 1.0747 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 0.2370 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 0.1413 -3.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 2.8818 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 3.4904 -2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 1.4662 -3.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 0.3929 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 2.6628 -1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8465 0.9601 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 2.5973 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 2.0027 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 -1.7147 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 -1.9481 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -3.4954 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -4.7128 -3.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -4.3893 -4.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -2.0315 -4.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -2.2512 -3.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -3.8603 -5.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -3.6182 -6.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -1.5767 -6.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 -2.1830 -7.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 -0.3970 -5.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -1.1255 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 0.4864 -7.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2822 -0.0563 -8.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 1.4545 -8.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6196 3.5547 -7.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 2.0533 -6.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 3.2328 -5.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 3.7773 -8.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1544 5.8483 -7.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 4.6779 -4.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 6.4156 -5.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 4.6216 -4.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 6.5004 -3.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 8.7263 -4.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 7.8610 -4.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 7.3100 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 8.1699 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 9.4399 -2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 10.2553 -2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 8.9260 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 10.6757 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 8.7603 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8594 10.2963 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4967 10.3294 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 -3.0654 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 -3.8382 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 -4.8926 2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 -1.6650 3.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0237 -0.1858 1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 1.1148 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 0.9647 3.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3504 1.9654 2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9960 0.8567 4.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8747 0.7600 6.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1763 -1.2650 5.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3067 -2.1833 5.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8893 -2.9406 4.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9647 -1.9999 2.0152 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 57 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 1 7 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 1 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 23 97 1 0 23 98 1 0 27 99 1 1 28100 1 0 28101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 55137 1 0 57138 1 1 58139 1 6 59140 1 0 60141 1 1 61142 1 0 62143 1 6 63144 1 0 64145 1 1 65146 1 0 66147 1 1 67148 1 0 M END