Mol:FL3FGAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 3.3527 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 -2.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 -0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 -2.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4949 0.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8696 -2.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3169 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -0.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 -0.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0322 -1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 -0.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 -0.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 0.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5187 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0521 1.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4787 2.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 2.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0226 1.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1557 0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 28 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 38 43 1 0 0 0 0 37 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 36 41 1 0 0 0 0 29 18 1 0 0 0 0 S SKP 5 ID FL3FGAGS0005 FORMULA C30H36O16 EXACTMASS 652.200335104 AVERAGEMASS 652.59724 SMILES C(Oc(c5OC)c(OC)c(O3)c(c5O)C(=O)C=C(c(c4)ccc(c4)OC)3)(O1)C(O)C(C(O)C(COC(C2O)OC(C(C(O)2)O)C)1)O M END