Mol:FL5FELNS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.3202 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -0.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 2.4315 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 2 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 15 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 3 26 1 0 0 0 0 26 27 1 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 28 29 M SBL 5 1 30 M SMT 5 OCH3 M SVB 5 30 0.1038 1.5655 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 -2.2003 -1.153 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 0.1038 -0.8776 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 2.1618 1.274 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 -2.6775 0.5898 S SKP 8 ID FL5FELNS0012 KNApSAcK_ID C00004815 NAME 6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone CAS_RN 80496-69-1 FORMULA C20H20O9 EXACTMASS 404.11073223799997 AVERAGEMASS 404.3674 SMILES COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c(O)3)OC)=O)OC)cc(O)c1OC M END