Mol:FL5FECNS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.9671 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8545 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -1.5255 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 0.4684 -0.7106 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.8472 -1.0073 S SKP 8 ID FL5FECNS0044 KNApSAcK_ID C00005055 NAME Meliternatin;7,9-Dimethoxy-6-[3,4-(methylenedioxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one CAS_RN 479-78-7 FORMULA C19H14O8 EXACTMASS 370.068867424 AVERAGEMASS 370.30966 SMILES c(c51)(OCO5)ccc(C(O2)=C(C(c(c4OC)c(cc(c43)OCO3)2)=O)OC)c1 M END