Mol:FL1CHYNS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -1.8904 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 10 17 1 0 0 0 0 17 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL1CHYNS0010 KNApSAcK_ID C00014439 NAME 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone CAS_RN 622851-67-6 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC M END