Mol:FLIAALNP0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0422 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0422 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1831 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1831 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3339 1.1882 0.0000 O 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 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 15 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FLIAALNP0015 KNApSAcK_ID C00009919 NAME Angustone B;5,7,2'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone CAS_RN 100462-54-2 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(c14)c(c(c(O)c1C(C(=CO4)c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=O)CC=C(C)C)O M END