Mol:FL1C1ANI0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 0.8236 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 1.1747 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 17 16 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -3.0129 0.3087 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 2.4925 0.0028 S SKP 8 ID FL1C1ANI0010 KNApSAcK_ID C00007071 NAME 4'-O-Methylbavachalcone CAS_RN 41682-53-5 FORMULA C22H24O4 EXACTMASS 352.167459256 AVERAGEMASS 352.42356 SMILES C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O M END