Mol:FL3FEGGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.7495 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 0.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 0.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -0.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4188 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -1.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 -1.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -2.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 1.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 0.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 -1.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 -0.9111 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 18 1 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 2 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 14 32 1 0 0 0 0 25 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 ^CH2OH M SBV 1 36 -6.9072 4.4137 S SKP 8 ID FL3FEGGS0002 KNApSAcK_ID C00004529 NAME 6-Hydroxytricetin 5-glucoside CAS_RN - FORMULA C21H20O13 EXACTMASS 480.090390726 AVERAGEMASS 480.37569999999994 SMILES C(C1Oc(c32)c(O)c(O)cc2OC(c(c4)cc(O)c(O)c(O)4)=CC3=O)(O)C(O)C(O)C(O1)CO M END