Mol:FLNAFCNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.3973 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -1.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 -2.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 0.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 10 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -0.1464 -1.8258 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -1.7545 1.8937 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.3178 0.1747 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 1.0401 -1.5533 S SKP 8 ID FLNAFCNS0003 KNApSAcK_ID C00010232 NAME 8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin CAS_RN 126633-46-3 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(c3O)(OC)cc(c(c31)C(c(c2)cc(OC)c(OC)c2)=CC(=O)O1)OC M END