Mol:FLIA1LNS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.3617 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -0.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 -0.1966 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -4.9190 5.1599 S SKP 8 ID FLIA1LNS0012 KNApSAcK_ID C00009813 NAME 7,2',4'-Trihydroxy-3'-methoxyisoflavone CAS_RN 90851-02-8 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES COc(c(O)3)c(O)c(cc3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 M END