HMDB0292441 RDKit 3D CDP-DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 158159 0 0 0 0 0 0 0 0999 V2000 4.4467 -3.2014 -2.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 -2.0575 -1.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 -0.8250 -2.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 0.2639 -1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9905 1.5551 -2.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9439 1.2601 -3.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 1.4194 -5.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 1.9184 -5.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8832 0.8202 -6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 0.3129 -6.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 0.7590 -5.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 1.1357 -6.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 2.2675 -6.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 3.5034 -5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 3.9914 -5.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 4.1771 -4.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 3.9085 -2.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 5.2361 -2.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 5.4925 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 4.5649 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 4.3746 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 3.5219 1.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 4.1060 2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 2.1947 1.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 1.2616 2.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6705 0.8052 3.7208 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8388 1.7786 4.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 2.2642 4.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 3.3584 5.9924 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7591 4.6921 5.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 2.8469 7.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 3.5849 6.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 3.5785 4.9742 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2889 4.0798 3.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 4.6430 5.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6394 2.0476 4.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 1.6375 3.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2597 0.2380 3.4097 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3297 -0.3066 2.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3517 -1.6814 2.3555 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0957 -2.4321 1.1666 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1357 -2.0432 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8594 -2.7474 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5926 -3.8762 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3614 -4.6453 -2.2984 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5537 -4.2580 -0.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7894 -3.5355 0.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7123 -3.9721 1.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2271 -1.8780 3.3725 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5510 -2.9911 4.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3311 -0.6512 4.2157 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8250 -0.8774 5.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 0.2053 3.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 -1.1835 3.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -1.7897 4.1468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -1.8231 3.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -3.3288 3.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -3.8450 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -5.2857 2.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -5.7385 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5328 -4.8404 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5409 -5.1771 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -4.4103 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 -3.0812 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 -1.9334 -1.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0131 -0.9263 -1.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -0.7817 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -0.5846 -1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 0.4785 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 1.5257 -0.2792 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4733 2.7192 -0.7102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 1.1388 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 2.1739 2.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 1.8221 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 2.8781 4.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 -3.8112 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 -2.7999 -3.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 -3.8855 -3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9339 -2.4150 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -1.8413 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 -0.6073 -3.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -1.1583 -3.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7274 -0.1086 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 0.3987 -1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 2.1012 -2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 2.2019 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 0.8754 -3.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4604 1.1670 -5.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 2.7496 -6.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 2.2453 -4.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 0.3608 -7.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 -0.5303 -7.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 1.6163 -4.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -0.1271 -4.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 0.2919 -7.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2271 2.3755 -7.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 4.2572 -6.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 3.3806 -5.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 4.2365 -6.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 4.5684 -4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 3.5082 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3444 3.1641 -2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9688 6.0215 -2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0353 6.5253 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 3.5893 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 5.1232 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 3.9986 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 5.3784 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 0.3172 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1679 1.6332 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 -0.0446 3.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6918 1.2671 5.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 2.6275 4.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0779 1.9947 7.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8908 5.5374 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1871 2.3297 2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 1.4839 3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2438 0.3149 3.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2745 -2.0162 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5391 -1.1619 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -2.4296 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5027 -5.2183 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0640 -4.6431 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -2.0217 2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7261 -3.7759 3.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3082 -0.1915 4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5815 -1.4980 5.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 -1.5188 4.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -1.5345 2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 -3.6900 4.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -3.6618 3.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -3.6841 3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -3.1890 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -6.0370 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 -6.8008 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 -3.8122 0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 -5.2172 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -6.1697 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -4.8439 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -3.1570 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9996 -2.8757 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 -1.9343 -2.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.1004 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 0.1408 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -1.5638 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -1.3121 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 0.5967 -1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 1.7942 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 2.4440 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 1.1403 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.1277 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 3.1732 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 2.2449 2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 1.9478 3.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 0.8151 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 3.8258 4.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 2.5134 5.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 2.9638 4.4880 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 2 0 46 47 1 0 47 48 2 0 40 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 51 38 1 0 47 41 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 1 27112 1 0 27113 1 0 31114 1 0 35115 1 0 37116 1 0 37117 1 0 38118 1 1 40119 1 1 42120 1 0 43121 1 0 45122 1 0 45123 1 0 49124 1 6 50125 1 0 51126 1 1 52127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 59134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 66143 1 0 67144 1 0 67145 1 0 68146 1 0 69147 1 0 70148 1 1 71149 1 0 72150 1 0 72151 1 0 73152 1 0 73153 1 0 74154 1 0 74155 1 0 75156 1 0 75157 1 0 75158 1 0 M END