Mol:FL5FALGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.9739 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 0.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -1.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 0.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0207 -1.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 1.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -1.8244 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 CH2OH M SBV 1 36 -4.6200 5.4264 S SKP 8 ID FL5FALGL0001 KNApSAcK_ID C00005722 NAME 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 161833-36-9 FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES c(c(O)4)cc(c(O)c4O)C(O2)=C(OC(C(O)3)OC(CO)C(O)C3O)C(=O)c(c21)c(cc(O)c1)O M END