Mol:FL5FDCGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.6381 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 0.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3523 0.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 -2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1483 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 -0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6779 0.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5599 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6517 -0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 -0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 -1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9212 1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 1.3820 0.0000 O 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 31 32 1 0 0 0 0 8 31 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 27 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -0.7365 0.4252 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 33 34 35 M SBL 2 1 38 M SMT 2 ^ COOH M SBV 2 38 0.4437 -0.6563 S SKP 5 ID FL5FDCGS0005 FORMULA C22H20O13 EXACTMASS 492.090390726 AVERAGEMASS 492.3864 SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(O1)C(O)C(C(O)C1C(O)=O)O M END