HMDB0295373 RDKit 3D DG(15:0/0:0/18:3(9,11,15)-OH(13)) 106105 0 0 0 0 0 0 0 0999 V2000 -15.5328 -0.4567 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0015 0.6789 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5229 0.6345 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8345 -0.3159 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3769 -0.4117 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7079 0.6755 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9906 1.9153 -0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2093 0.5089 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6646 0.8318 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2370 0.6964 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7086 1.0139 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2542 0.8970 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 0.3791 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 0.1903 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3139 1.3878 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 2.5735 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 2.6797 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 2.0293 -1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 0.5891 -1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5877 -0.1546 -1.9022 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 -0.0438 -1.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 -1.3300 -1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -2.3224 -0.8701 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8983 -2.3823 -0.9648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -2.0302 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 -2.0798 0.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -3.1809 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -4.2509 0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -3.2770 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3459 -3.8025 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -2.8582 -1.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -1.4721 -1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1233 -1.5302 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -0.1372 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9878 -0.1659 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8846 -0.6147 -1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 -0.6927 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8589 0.6545 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2959 0.4644 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8938 1.7420 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1819 2.2476 1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7953 3.5289 2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6490 -0.3863 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1204 -0.3988 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2949 -1.4412 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2764 1.6471 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5170 0.6188 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0525 1.4150 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4160 -1.0621 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0459 -1.3793 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9620 -0.4657 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9828 0.6681 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3846 1.7877 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6055 0.1369 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3425 1.1984 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5982 0.3298 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3983 1.3877 2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0698 0.1822 3.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 1.8894 2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 1.0103 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9288 -0.6202 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.4663 2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.4980 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 1.6426 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 1.0252 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 3.3854 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 3.1017 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 2.5347 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 3.8321 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 2.3116 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.4913 -2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 -1.7341 -2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -1.3920 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.3551 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -3.2817 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 -1.0210 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -2.7887 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -3.9081 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9949 -2.2531 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -4.7525 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 -4.0914 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -3.2555 -2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -2.7761 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -0.8699 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 -0.9808 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6572 -1.9220 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -2.1898 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 0.2911 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 0.5692 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 0.8556 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 -0.8903 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5909 -1.6363 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 0.0617 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -1.3986 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9256 -1.0502 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7963 1.4065 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 0.8813 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8926 0.1123 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3268 -0.3480 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9711 1.5412 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7628 2.5180 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 1.4848 2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0888 2.3974 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3183 4.0318 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5094 3.2420 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0678 4.2142 2.6564 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 22 72 1 0 22 73 1 0 23 74 1 6 24 75 1 0 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 42106 1 0 M END