Mol:FL5FEAGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -0.8426 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 -2.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 0.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3525 -0.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 -0.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7735 -0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8664 -1.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -1.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1323 0.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7941 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 2.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -1.7516 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 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 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 41 43 1 0 0 0 0 40 44 1 0 0 0 0 2 45 1 0 0 0 0 S SKP 8 ID FL5FEAGS0017 KNApSAcK_ID C00005934 NAME 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside) CAS_RN 150900-97-3 FORMULA C30H26O15 EXACTMASS 626.127170162 AVERAGEMASS 626.51844 SMILES c(c5)c(ccc5O)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC(C3O)OC(COC(=O)C=Cc(c4)ccc(O)c4O)C(O)C3O)c(O)2)1 M END