Mol:FL2FFCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 0.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 0.7028 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 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 15 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -1.1897 0.3772 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 2.0624 1.127 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.7769 0.4428 S SKP 8 ID FL2FFCNS0002 KNApSAcK_ID C00008308 NAME 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone CAS_RN 90850-98-9 FORMULA C18H18O7 EXACTMASS 346.10525293 AVERAGEMASS 346.33132 SMILES O(C(c(c3)cc(O)c(OC)c3)1)c(c2OC)c(c(O)cc2OC)C(=O)C1 M END