Mol:FLIAE9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.7883 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -0.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6684 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -0.4083 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 7 20 2 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SBV 1 25 -7.2753 4.3392 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SBV 2 27 -7.2943 4.3502 S SKP 8 ID FLIAE9NS0001 KNApSAcK_ID C00009863 NAME Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone CAS_RN 128700-91-4 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(OC)cc(O)2)C1=O M END