HMDB0108280 RDKit 3D TG(18:0/14:0/16:0) 155154 0 0 0 0 0 0 0 0999 V2000 1.7966 -4.8933 -2.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -4.2213 -2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 -4.9135 -1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4947 -4.2920 -2.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 -2.7864 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1484 -2.6366 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -1.3291 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 -0.3944 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 0.0668 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6655 1.2081 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1192 2.4753 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 3.2740 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 2.7855 -1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 2.3982 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.5397 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 2.8986 1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8018 3.8662 2.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 4.8599 1.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 5.8610 2.2724 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 4.6856 0.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 5.5901 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 5.7691 0.1303 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1640 6.6557 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 5.8809 -2.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 6.3683 -3.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 7.5427 -3.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 5.7491 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 4.8232 -5.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 3.5218 -4.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 2.6807 -4.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 1.3098 -3.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.8697 -2.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 1.1182 -2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.4631 -0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 0.9787 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 0.3443 1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 0.9610 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 0.4392 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -1.0171 4.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.3935 4.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2257 -0.6444 5.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 4.6338 0.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1959 4.2560 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2855 4.9948 2.1441 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 3.0261 1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9602 2.8090 2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6829 1.4834 1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 1.0979 2.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3803 -0.1968 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 -1.3370 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0181 -2.6555 2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 -3.7300 2.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -3.9282 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2226 -5.0200 3.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 -4.7717 2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -5.9374 2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -5.6455 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0837 -4.1232 -2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -5.7067 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -5.3075 -3.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.1322 -2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -4.3314 -3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8728 -4.9747 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -5.9657 -2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 -4.7436 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 -4.4171 -3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 -2.5064 -1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -2.2258 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 -3.2957 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -3.1699 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.8235 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -1.4449 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -0.8565 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 0.5116 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4187 -0.7747 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 0.1563 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2369 1.4084 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4681 0.8065 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 2.3149 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 3.1476 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 4.3011 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 3.5352 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 2.0808 -2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 3.6994 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0051 1.5256 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9354 2.1566 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 4.3797 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 3.8912 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 2.4282 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 2.1310 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 3.2836 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 4.4238 2.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 6.6232 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 5.2842 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 6.4049 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 6.9418 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5464 7.5529 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 6.6191 -5.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 5.3625 -4.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 5.3504 -5.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 4.6071 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 3.7915 -3.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 2.9843 -4.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 3.1486 -3.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 2.6450 -5.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 0.7752 -3.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 0.7065 -4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 -0.2684 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5426 1.2185 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 2.1839 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 0.6221 -3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 0.5457 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -0.6355 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 0.6409 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.0653 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 0.4416 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 -0.7668 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 2.0552 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 0.7930 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 0.6268 4.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 1.0702 4.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -1.3661 5.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 -1.5891 3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4386 -2.4684 4.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -1.2461 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -1.1159 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 0.4461 4.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 -0.7892 6.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 2.1210 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 3.1839 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7521 3.5818 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 2.7917 3.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9192 0.7386 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2340 1.6722 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4693 1.8745 3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 0.9902 3.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1382 -0.3863 3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9188 -0.0727 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 -1.4091 3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -1.0969 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7384 -2.9112 2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6227 -2.6094 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 -4.7057 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2171 -3.5151 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -2.9904 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9924 -4.2690 4.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 -5.9907 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6868 -5.1900 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -3.8559 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 -4.7891 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 -6.8963 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6686 -5.9677 3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -5.1436 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 -4.9402 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 -6.5637 0.6791 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 27 28 1 0 28 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 57155 1 0 M END