Mol:FL6DDANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.9629 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -1.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -0.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 -1.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 -1.9004 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 8 17 1 1 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 20 1 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 7 25 1 1 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -5.7571 3.4313 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SBV 2 29 -5.7288 3.4150 S SKP 8 ID FL6DDANI0002 KNApSAcK_ID C00009030 NAME 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol CAS_RN 72357-34-7 FORMULA C22H26O6 EXACTMASS 386.172938564 AVERAGEMASS 386.43824 SMILES c(c1)(ccc(C(C3O)Oc(c2CC=C(C)C)c(C3OC)c(OC)cc2O)c1)O M END