Mol:FL1D3CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 1.7086 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3908 -0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 1.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 1.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6971 -0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6854 0.1168 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 6 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 13 16 1 0 0 0 0 15 17 1 0 0 0 0 9 18 2 0 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -3.6971 -0.0359 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.9826 1.0078 S SKP 8 ID FL1D3CNS0001 KNApSAcK_ID C00008125 NAME 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin CAS_RN 168180-11-8 FORMULA C17H18O5 EXACTMASS 302.115423686 AVERAGEMASS 302.32182 SMILES COc(c2)ccc(c2)CCC(=O)c(c1)c(O)c(OC)c(O)c1 M END