Mol:FL2FDENM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.0977 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8175 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8175 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 0.4445 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 6 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 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 SBV 1 22 -7.4225 6.5208 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 SBV 2 24 -8.2844 6.1146 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 SBV 3 26 -7.9108 6.6453 S SKP 8 ID FL2FDENM0001 KNApSAcK_ID C00008314 NAME 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone CAS_RN 86890-96-2 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)OC M END