Mol:FL2FFAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5161 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 -1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 0.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -2.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 0.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 0.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 0.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 0.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 0.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 1.3571 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 19 1 0 0 0 0 15 31 1 0 0 0 0 S SKP 5 ID FL2FFAGS0001 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(=O)(C1)c(c(O)4)c(c(c(c4)OC(O3)C(O)C(O)C(O)C(C)3)O)OC1c(c2)ccc(O)c2 M END