Mol:FL3FA9NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.9106 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9106 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -0.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4381 -1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 -1.8576 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 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 2 0 0 0 0 21 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 33 M SMT 3 OCH3 M SVB 3 33 -2.4381 -1.4451 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 31 M SMT 2 OCH3 M SVB 2 31 -1.2679 1.1733 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -0.7907 -0.5695 S SKP 8 ID FL3FA9NC0001 KNApSAcK_ID C00004054 NAME 5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one CAS_RN 135404-71-6 FORMULA C24H20O7 EXACTMASS 420.120902994 AVERAGEMASS 420.41139999999996 SMILES O(c24)C(=CC(c(c(c(c(c4)OC)C(C(=O)3)=COC(C)=C3OC)OC)2)=O)c(c1)cccc1 M END