Mol:FL2FCCNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9706 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -0.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -0.3511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3017 -0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 1.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8278 1.1336 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -2.3278 0.2676 S SKP 8 ID FL2FCCNI0002 KNApSAcK_ID C00008357 NAME 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone CAS_RN 72944-03-7 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c3CC=C(C)C)(c(c(O)cc3OC)2)OC(CC(=O)2)c(c1)cc(c(O)c1)O M END