Mol:FLIAE8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 -0.7004 0.0000 C 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 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 24 M SMT 1 ^OCH3 M SBV 1 24 -6.1203 3.3188 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SBV 2 26 -5.8422 3.0888 S SKP 8 ID FLIAE8NS0002 KNApSAcK_ID C00009467 NAME Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone CAS_RN 3743-44-0 FORMULA C18H14O6 EXACTMASS 326.07903818 AVERAGEMASS 326.30016 SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)c(OC)ccc2)C1=O M END