Mol:FL3FA9CS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 2.7120 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1409 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 -1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5706 0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 -1.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4548 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -0.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 0.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 -0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6799 -1.5161 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 23 15 1 0 0 0 0 S SKP 8 ID FL3FA9CS0005 KNApSAcK_ID C00014012 NAME Chrysin 6-C-beta-D-glucopyranoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 28368-57-2 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(=O)(C=3)c(c(OC3c(c4)cccc4)2)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O M END