Mol:FLIAALNP0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3338 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 16 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIAALNP0017 KNApSAcK_ID C00009929 NAME Angustone C;5,2',4'-Trihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone CAS_RN 107585-63-7 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(O)(c43)c(c2cc(OC(C=C4)(C)C)3)C(=O)C(=CO2)c(c1)c(c(c(c1)O)CC=C(C)C)O M END