Mol:FL3FBBCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.4358 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4358 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -1.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 2.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 1.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 2.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8787 1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -2.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 9 11 1 0 0 0 0 7 17 2 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 6 21 1 0 0 0 0 1 28 1 0 0 0 0 29 30 1 0 0 0 0 14 29 1 0 0 0 0 31 32 1 0 0 0 0 3 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -0.6790 -0.3920 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 35 M SMT 2 OCH3 M SBV 2 35 -0.0184 0.7025 S SKP 5 ID FL3FBBCS0001 FORMULA C23H24O9 EXACTMASS 444.14203236599997 AVERAGEMASS 444.43126 SMILES c(c1)c(ccc1C(=C4)Oc(c3C4=O)c(c(cc3OC)O)C(C2O)OC(C)C(C2O)O)OC M END