Mol:FL3FFCGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.6967 -1.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6967 -2.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -2.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 -2.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 -1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -2.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 -2.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 -1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -3.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 -1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -3.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 1.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0318 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8049 3.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 2.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 0.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9413 0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 -0.3756 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 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 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 20 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 27 31 1 0 0 0 0 34 35 1 0 0 0 0 15 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 31 32 33 M SBL 1 1 36 M SMT 1 COOH M SBV 1 36 -0.3883 -0.7254 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 38 M SMT 2 OCH3 M SBV 2 38 -0.7037 -0.4062 S SKP 5 ID FL3FFCGS0016 FORMULA C22H20O13 EXACTMASS 492.090390726 AVERAGEMASS 492.3864 SMILES Oc(c24)cc(c(c(OC(=CC4=O)c(c3)ccc(c3O)OC)2)OC(C(O)1)OC(C(O)C1O)C(O)=O)O M END