Mol:FL1CRTNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -3.7789 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2066 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 -1.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -0.6188 0.0000 O 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 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL1CRTNF0001 KNApSAcK_ID C00014470 NAME Licoagrochalcone D;5''-(2-Hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone CAS_RN 325144-69-2 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C(C)(C)O)C2 M END