Mol:FL3FA8GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.5951 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 0.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 0.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -0.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -0.5695 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 1 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 19 1 0 0 0 0 12 31 1 0 0 0 0 S SKP 8 ID FL3FA8GS0003 KNApSAcK_ID C00013604 NAME 5,7,2'-Trihydroxy 7-glucoside CAS_RN - FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)(c(O)1)cccc1 M END