Mol:FL3FEGNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.8165 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9898 1.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6595 2.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 2.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 -1.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 3.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 3.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 3.4138 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 2.0624 -0.0612 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.7769 -0.7269 S SKP 8 ID FL3FEGNS0002 KNApSAcK_ID C00003942 NAME 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone CAS_RN 79154-47-5 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c(O)2 M END