Mol:FL3FGCGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 2.6544 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6324 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9533 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1552 0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 0.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8488 0.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -0.3244 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 4 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 18 27 1 0 0 0 0 S SKP 8 ID FL3FGCGS0012 KNApSAcK_ID C00013709 NAME Zeravschanoside;5,6,7,8,3',4'-Hexsahydroxy 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5,6,8-trihydroxy-4H-1-benzopyran-4-one CAS_RN 404891-11-8 FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES C(C1Oc(c4O)c(c(c3c4O)OC(=CC3=O)c(c2)cc(c(O)c2)O)O)(O)C(O)C(O)C(O1)CO M END