Mol:FL5FACCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.7052 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7052 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7430 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2273 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5261 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0211 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9581 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0761 -1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 -0.0938 0.0000 O 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 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 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 2 23 1 0 0 0 0 1 29 1 0 0 0 0 17 30 1 0 0 0 0 8 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SVB 1 35 -2.779 -0.3901 S SKP 8 ID FL5FACCS0001 KNApSAcK_ID C00006111 NAME 6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one CAS_RN 28225-11-8 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(c(c2O)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O)O M END