Mol:FL5FAANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.3738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0425 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0425 1.4163 0.0000 O 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 8 18 1 0 0 0 0 1 19 1 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 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 3 25 1 0 0 0 0 15 26 1 0 0 0 0 S SKP 8 ID FL5FAANP0001 KNApSAcK_ID C00005076 NAME 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone CAS_RN 108803-53-8 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(c1c2O)OC(C=C1)(C)C M END