HMDB0291387 RDKit 3D CDP-DG(18:2(9Z,12Z)/20:3(5Z,11Z,14Z)-O(8,9)) 152154 0 0 0 0 0 0 0 0999 V2000 2.2081 4.0368 -7.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 2.5553 -7.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 1.9494 -8.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 0.5014 -8.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -0.3011 -7.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8607 -1.7296 -7.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -2.6992 -6.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -2.4590 -5.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 -3.1664 -4.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -2.6633 -3.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9044 -1.2334 -3.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 -0.6727 -2.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -0.8147 -3.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 -0.2417 -3.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 1.1584 -3.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 2.2239 -2.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 2.7005 -3.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 3.7429 -2.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8754 4.7993 -1.9632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0376 3.5632 -1.8124 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 4.2457 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 4.5622 0.3861 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3097 5.7934 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 6.3105 1.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 7.6994 1.9663 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1239 8.3230 0.5683 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 7.1576 2.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 8.7790 3.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 8.0550 4.5101 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3507 8.8880 5.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 6.5130 4.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 7.9044 4.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 6.8288 5.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 6.6478 5.0396 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8539 6.4272 3.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9853 5.6343 3.6312 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0075 5.0216 2.3059 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 5.6117 1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 5.1008 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 3.9302 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0426 3.3132 -1.4753 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6615 3.3644 0.8392 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 3.8787 2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 3.2893 3.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 4.6480 4.7339 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0100 4.3671 5.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 5.3566 5.7344 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6190 5.6791 6.9092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 3.4701 1.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 2.8749 2.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 3.3416 2.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5066 1.6831 2.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 1.0598 3.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1741 -0.1326 4.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 -1.1213 3.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2089 -2.3710 3.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -2.9898 4.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9405 -3.5025 2.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 -4.4762 2.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 -5.0013 2.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5561 -5.3977 2.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 -4.9275 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -5.5969 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0004 -7.0706 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -7.5751 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0609 -8.4570 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 -9.1904 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4471 -8.9631 0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 -9.8309 2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2019 -9.6121 3.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -8.2154 3.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 4.1413 -6.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 4.5826 -8.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 4.5022 -6.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 2.0470 -6.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 2.4915 -8.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 2.0913 -7.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 2.5167 -8.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 0.3945 -9.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2947 0.0953 -8.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -0.0354 -6.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 0.0560 -7.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 -2.0417 -8.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -3.7463 -7.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -2.9652 -6.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -1.4074 -5.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 -4.2608 -4.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -3.3160 -2.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 -1.0461 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -0.6143 -3.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -1.3285 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 0.2967 -2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.3061 -4.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4547 -1.9136 -3.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 -0.8171 -3.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -0.6902 -2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 1.1892 -2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 1.5473 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9517 1.8828 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 3.1406 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.9988 -3.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 3.3664 -4.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 3.6834 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 5.2378 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 4.8757 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 5.6115 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 6.6047 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 7.9183 2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 6.5753 4.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 6.9827 6.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 5.8777 4.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 7.5248 5.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8982 6.2450 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 6.5483 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 5.5555 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 3.6578 -2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4247 2.5191 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 3.7113 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9659 3.4743 5.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 4.7629 6.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 6.2111 7.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 2.0598 3.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 0.9627 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 0.7216 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 1.7798 4.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 0.2964 5.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.5126 5.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -0.7506 3.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 -2.9776 2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -2.4115 4.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 -3.9167 4.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -2.8297 2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -5.5450 3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -6.4860 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -4.9288 2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 -3.8153 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 -5.0406 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9782 -7.3575 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 -7.5055 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 -7.1211 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 -8.7257 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 -8.9521 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -10.2852 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -9.2704 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 -7.9031 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -10.9000 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -9.7276 2.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 -10.3618 4.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -9.8248 2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 -8.1953 4.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -7.4867 3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1504 -7.9102 4.1657 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 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 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 40 42 2 0 42 43 1 0 43 44 2 0 36 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 22 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 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 1 0 69 70 1 0 70 71 1 0 47 34 1 0 60 58 1 0 43 37 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 1 23106 1 0 23107 1 0 27108 1 0 31109 1 0 33110 1 0 33111 1 0 34112 1 1 36113 1 1 38114 1 0 39115 1 0 41116 1 0 41117 1 0 45118 1 6 46119 1 0 47120 1 1 48121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 63137 1 0 64138 1 0 64139 1 0 65140 1 0 66141 1 0 67142 1 0 67143 1 0 68144 1 0 68145 1 0 69146 1 0 69147 1 0 70148 1 0 70149 1 0 71150 1 0 71151 1 0 71152 1 0 M END