Mol:FL3FA9CS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 1.4268 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -0.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -0.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -0.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -2.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2763 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9038 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 1.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8156 2.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 2.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 1.3860 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 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 10 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 13 23 1 0 0 0 0 S SKP 8 ID FL3FA9CS0004 KNApSAcK_ID C00014011 NAME Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 160880-89-7 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(C(O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)cccc3)OC(CO)C(O)C1O M END