Mol:FL5FDAGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 1.5171 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2315 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2315 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3408 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3408 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1975 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 1.4438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1975 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 2.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 0.8837 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 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 19 23 1 0 0 0 0 18 24 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 2 0 0 0 0 S SKP 8 ID FL5FDAGSS001 KNApSAcK_ID C00013929 NAME Quercetin 3,7-dimethyl ether 4'-sulfate;5-Hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-3,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 221662-09-5 FORMULA C17H14O10S EXACTMASS 410.030767358 AVERAGEMASS 410.35306 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OC)=C1c(c2)cc(O)c(c2)OS(O)(=O)=O M END