Mol:FL3FEGNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.6455 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2878 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5725 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 0.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2147 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5421 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1967 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1967 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -0.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1786 -0.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -1.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6966 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1966 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8357 -1.9097 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 -2.6454 -2.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 -3.6512 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 14 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.4197 0.4428 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.7769 -0.7269 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.0624 -0.0612 S SKP 8 ID FL3FEGNS0003 KNApSAcK_ID C00003943 NAME 5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone CAS_RN 118169-23-6 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC M END
