Mol:FL4DACNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.7481 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 0.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2272 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9195 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9195 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 -1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 1.6414 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 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 20 17 1 0 0 0 0 8 21 1 1 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 6 1 0 0 0 0 24 27 1 0 0 0 0 S SKP 8 ID FL4DACNR0001 KNApSAcK_ID C00008637 NAME 7,8-Dihydrooxepinodihydroquercetin CAS_RN 104668-90-8 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES CC(C4)=CCc(c12)c(O4)cc(c1C(C(O)C(c(c3)cc(c(O)c3)O)O2)=O)O M END