Mol:FL3FFLNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 1.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 2.3237 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 16 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 0.3617 1.4577 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 -1.2281 0.7574 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 1.5693 1.7424 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 -2.4197 0.482 S SKP 8 ID FL3FFLNS0002 KNApSAcK_ID C00003952 NAME 5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone CAS_RN 113963-50-1 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c3OC)ccc(c3OC)O)=C2)1)O M END