Mol:FL5FDEGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 2.9474 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5185 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5185 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3764 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9474 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 -0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -0.8431 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 21 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 18 1 0 0 0 0 S SKP 8 ID FL5FDEGS0001 KNApSAcK_ID C00013931 NAME Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one CAS_RN 70324-45-7 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES C(C1O)(C(C(OC1Oc(c2)cc(O3)c(C(C(=C3c(c4)cc(c(c4)OC)O)OC)=O)c(O)2)CO)O)O M END