Mol:FL5F1CGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.5744 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5382 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0945 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1305 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -1.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3938 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 0.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 -0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 -0.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 -0.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 0.3346 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 8 19 1 0 0 0 0 20 15 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 ^CH2OH M SBV 1 34 -6.1232 4.4048 S SKP 8 ID FL5F1CGS0001 KNApSAcK_ID C00005301 NAME Fisetin 7-glucoside CAS_RN - FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c4)(cc(c(O)c4)O)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO M END