Mol:FL6DBANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9629 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -1.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -1.8740 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 6 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 1 1 0 0 0 8 18 1 1 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 21 1 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 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 28 M SMT 1 OCH3 M SBV 1 28 -5.7288 3.4414 S SKP 8 ID FL6DBANI0001 KNApSAcK_ID C00009027 NAME 5-O-Methyl-8-prenylafzelechin-4beta-ol CAS_RN 76319-12-5 FORMULA C21H24O6 EXACTMASS 372.1572885 AVERAGEMASS 372.41166 SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)O)O M END