Mol:FL5FACGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.0846 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -0.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 1.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 -0.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 -1.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 -0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5612 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -2.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 -2.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 -1.6107 0.0000 C 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 21 1 0 0 0 0 S SKP 8 ID FL5FACGS0006 KNApSAcK_ID C00005374 NAME Quercitrin;Quercetin 3-O-rhamnopyranoside CAS_RN 522-12-3 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 M END