Mol:FL3FFAGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.4110 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6178 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3489 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6278 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 2.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 2.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5809 0.8501 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 21 26 1 0 0 0 0 S SKP 8 ID FL3FFAGS0016 KNApSAcK_ID C00013645 NAME Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 197019-92-4 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES Oc(c31)cc(c(OC(O4)C(O)C(C(C(CO)4)O)O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O M END