Mol:FL1DHYNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -0.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -0.8931 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 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 1 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 5 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 23 M SMT 1 OCH3 M SBV 1 23 -5.4568 3.7428 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SBV 2 25 -6.4481 3.2633 S SKP 8 ID FL1DHYNS0004 KNApSAcK_ID C00007959 NAME beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone CAS_RN 70185-51-2 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CC(O)c(c1)cccc1 M END