Mol:FL2FALNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.4813 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3379 -2.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 -1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 2.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 2.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1935 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 0.8183 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 S SKP 8 ID FL2FALNS0007 KNApSAcK_ID C00014134 NAME 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone CAS_RN 625111-93-5 FORMULA C18H18O7 EXACTMASS 346.10525293 AVERAGEMASS 346.33132 SMILES c(OC)(c1)c(OC)cc(c(C(O2)CC(c(c(O)3)c2cc(OC)c3)=O)1)O M END