Mol:FL3FAAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.2372 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 1.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 -0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 1.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 -0.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 -1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 -1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 -2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 2.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6615 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 -0.4320 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 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 23 19 1 0 0 0 0 15 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -8.3949 5.4924 S SKP 8 ID FL3FAAGS0005 KNApSAcK_ID C00004140 NAME Apigenin 5-galactoside CAS_RN 84268-41-7 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO M END