Mol:FL5FEGNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 2.6397 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 2 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 14 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 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 1.4901 1.7424 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 0.2825 -0.9854 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 1.9832 -0.022 S SKP 8 ID FL5FEGNS0005 KNApSAcK_ID C00004825 NAME 5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone CAS_RN 72357-38-1 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c3O)c2cc(c3O)O)=O)OC)c1)O M END