Mol:FL3FGCNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.2410 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5721 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -2.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -3.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 -0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9474 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 0.6800 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 27 28 M SBL 5 1 29 M SMT 5 OCH3 M SVB 5 29 2.241 1.0925 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.9555 -0.7614 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.5983 0.4082 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.4067 0.6837 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.1212 -1.3346 S SKP 8 ID FL3FGCNS0011 KNApSAcK_ID C00003935 NAME 3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone CAS_RN 112448-39-2 FORMULA C20H20O8 EXACTMASS 388.11581761599996 AVERAGEMASS 388.368 SMILES O(C)c(c21)c(c(c(OC)c(C(=O)C=C(c(c3)cc(O)c(OC)c3)O2)1)OC)OC M END