Mol:FL3FEGNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.2602 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1476 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1476 -1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -3.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 -1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 -2.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -5.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 -0.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.0952 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 16 20 1 0 0 0 0 20 21 1 0 0 0 0 1 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 2 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 -2.7769 -0.6877 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 2.0624 -0.022 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 -2.4197 0.482 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 1.5693 1.7424 S SKP 8 ID FL3FEGNS0006 KNApSAcK_ID C00003946 NAME 5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 83133-17-9 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c1O)(OC)cc(C(O2)=CC(c(c3O)c2cc(c3OC)OC)=O)cc1OC M END