Mol:FL1CG9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 1.6704 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 -1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 0.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 0.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1337 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -0.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 0.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6871 -0.4014 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 18 14 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 12 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 27 M SMT 1 ^OCH3 M SBV 1 27 -6.6300 3.1804 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 29 M SMT 2 OCH3 M SBV 2 29 -5.3630 3.4059 S SKP 8 ID FL1CG9NI0001 KNApSAcK_ID C00007117 NAME 3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone CAS_RN 129724-40-9 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES C(C(=O)c(c2OC)c(c(c(c2OC(C(C)=CC)=O)O)OC)O)=Cc(c1)cccc1 M END