Mol:FLIA3CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 27 0 0 0 0 0 0 0 0999 V2000 -2.0019 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2233 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -1.2495 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 0 0 0 0 S SKP 8 ID FLIA3CNS0001 KNApSAcK_ID C00009403 NAME Maximaisoflavone A CAS_RN 59092-90-9 FORMULA C17H10O6 EXACTMASS 310.047738052 AVERAGEMASS 310.2577 SMILES O=C(C=3c(c4)cc(O5)c(OC5)c4)c(c1)c(OC3)c(O2)c(OC2)c1 M END