Mol:FL5FECNS0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.0913 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 -0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3424 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5202 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4803 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 -2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 -2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 2.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2987 -1.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 10 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 11 1 0 0 0 0 S SKP 8 ID FL5FECNS0045 KNApSAcK_ID C00013514 NAME 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one CAS_RN 261961-81-3 FORMULA C17H12O8 EXACTMASS 344.05321735999996 AVERAGEMASS 344.27238 SMILES COc(c4)c(O)cc(c4)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 M END