Mol:FL5FEANS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2711 -4.8643 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 15 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 0.5403 -0.6973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.5983 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.241 0.77 S SKP 8 ID FL5FEANS0015 KNApSAcK_ID C00004603 NAME Penduletin;5,4'-Dihydroxy-3,6,7-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one CAS_RN 569-80-2 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)ccc(O)c2)OC)=O M END