HMDB0292325 RDKit 3D CDP-DG(22:3(10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-O(5,6)) 165167 0 0 0 0 0 0 0 0999 V2000 2.7110 2.7015 8.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 3.4042 8.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 4.7520 8.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 4.6154 6.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 6.0190 6.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 6.8486 6.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 7.3715 5.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 7.3341 3.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 6.7106 3.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 5.6870 2.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 5.0556 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 5.1082 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 4.0592 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8065 2.6833 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 1.9986 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 1.8499 -1.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 0.7020 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -0.1428 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 -1.4643 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -1.5764 -2.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -1.1798 -3.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 -1.5370 -4.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 -0.5020 -3.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -0.2729 -4.5721 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7343 -0.7981 -4.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -2.1853 -4.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 -2.6409 -3.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -1.8190 -2.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6606 -4.0842 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -4.2451 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 -5.6512 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 -6.2749 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -5.4326 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4319 -6.0627 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 -5.2467 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -5.8585 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -7.2051 1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -7.5421 2.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 -6.6359 3.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 -6.6392 5.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 -5.7150 5.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 -4.2991 5.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 -3.7913 4.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 -2.9418 3.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5259 -2.3329 4.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 -0.8585 4.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -0.1687 5.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -0.2974 4.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 0.1866 3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4152 1.6285 3.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 1.2237 -4.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.5549 -5.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 3.1652 -5.5078 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7160 4.0134 -4.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 3.7004 -6.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 3.3677 -6.3036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 1.8677 -6.7919 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2842 0.9997 -7.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 2.1504 -7.9634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 1.0685 -5.4946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 0.8095 -5.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 0.1072 -4.6267 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0455 0.8942 -3.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 1.3402 -3.2374 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4665 2.6419 -3.7484 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4477 3.4974 -3.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 4.8005 -3.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4661 5.2836 -4.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5044 6.6205 -5.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 4.4289 -4.9513 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4348 3.1489 -4.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3624 2.3843 -4.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2155 0.2514 -3.6632 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0632 -0.7978 -2.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -0.2704 -4.9024 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6822 -1.6496 -5.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 2.8822 7.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 1.5937 8.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 2.8781 8.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 3.6099 9.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 2.7719 8.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 5.4136 8.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 5.1783 8.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5106 4.0167 6.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 4.1868 6.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6404 6.3796 6.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4143 5.9604 5.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 7.0611 7.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 7.9824 5.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 7.1889 3.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 8.4841 3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 7.1108 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 5.2572 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 5.5025 2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 3.9687 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 6.0892 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 4.1950 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 2.1793 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 2.5044 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 2.3647 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 0.2183 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -0.3000 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 0.4633 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 -2.1662 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 -2.0064 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.9930 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6448 -2.6742 -2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 -0.7470 -5.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -0.7373 -5.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -0.2523 -4.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3688 -4.5911 -3.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -4.5453 -2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 -3.9087 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -3.5269 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 -5.7670 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 -6.2785 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 -7.2709 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -6.3874 -1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 -5.4474 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -4.3823 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 -7.0641 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -6.1091 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -4.2350 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -5.1529 2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -6.0197 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6344 -5.1614 1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 -7.9560 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -8.6099 3.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3826 -7.1591 3.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 -5.6910 3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -7.6842 5.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -6.0438 6.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 -3.9863 5.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 -3.7053 6.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9393 -4.1109 3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 -2.6452 2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 -2.8280 5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -2.5717 4.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -0.5586 5.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 -0.4712 3.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -0.4394 6.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 0.9422 5.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 0.4340 5.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 -1.2416 4.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 0.0884 2.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7143 -0.4083 2.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 2.0507 4.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 2.2346 2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 1.8155 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8186 1.3083 -5.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 1.8276 -4.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0264 3.2374 -7.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 1.3302 -8.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 0.2043 -6.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9225 1.7857 -5.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5169 -0.8129 -4.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 1.4193 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 3.1784 -2.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6588 5.5059 -3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7148 6.8492 -6.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 7.4155 -4.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2818 0.3748 -3.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -0.7757 -2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9236 0.1641 -5.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7541 -2.0517 -4.1183 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 24 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 2 0 57 59 1 0 57 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 68 70 2 0 70 71 1 0 71 72 2 0 64 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 17 15 1 0 75 62 1 0 71 65 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 7 89 1 0 8 90 1 0 8 91 1 0 9 92 1 0 10 93 1 0 11 94 1 0 11 95 1 0 12 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 19105 1 0 20106 1 0 20107 1 0 24108 1 6 25109 1 0 25110 1 0 29111 1 0 29112 1 0 30113 1 0 30114 1 0 31115 1 0 31116 1 0 32117 1 0 32118 1 0 33119 1 0 33120 1 0 34121 1 0 34122 1 0 35123 1 0 35124 1 0 36125 1 0 36126 1 0 37127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 50147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 55152 1 0 59153 1 0 61154 1 0 61155 1 0 62156 1 1 64157 1 1 66158 1 0 67159 1 0 69160 1 0 69161 1 0 73162 1 6 74163 1 0 75164 1 6 76165 1 0 M END