Mol:FL3FQUNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4197 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 0.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.6235 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 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 17 19 2 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 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 -2.7769 0.7575 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 0.4258 0.0103 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 1.4418 S SKP 8 ID FL3FQUNS0001 KNApSAcK_ID C00004107 NAME 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone CAS_RN - FORMULA C18H14O8 EXACTMASS 358.068867424 AVERAGEMASS 358.29896 SMILES c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O M END