Mol:FL1CBBNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -3.1252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8397 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1616 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 0.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6339 0.6604 0.0000 C 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 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 13 18 1 0 0 0 0 7 19 1 0 0 0 0 20 17 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 20 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 S SKP 8 ID FL1CBBNP0001 KNApSAcK_ID C00014480 NAME Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone CAS_RN 143885-75-0 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(=O)C=Cc(c3)ccc(c3)OC)2)(C)C M END