Mol:FL5FF8NN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.4303 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -1.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 0.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9634 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9634 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 2.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 2.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 -2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 -0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 2.1208 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 20 23 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 21 29 1 1 0 0 0 29 30 1 0 0 0 0 26 31 1 0 0 0 0 8 32 1 0 0 0 0 32 33 1 0 0 0 0 17 34 1 0 0 0 0 34 35 1 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 3 38 1 0 0 0 0 38 39 1 0 0 0 0 24 40 1 0 0 0 0 40 41 1 0 0 0 0 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 2 29 30 M SBL 6 1 33 M SMT 6 CH2OH M SVB 6 33 -2.5076 0.1647 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 40 41 M SBL 5 1 44 M SMT 5 OCH3 M SVB 5 44 -0.6921 0.8655 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 38 39 M SBL 4 1 42 M SMT 4 OCH3 M SVB 4 42 -1.3104 -2.2237 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 36 37 M SBL 3 1 40 M SMT 3 OCH3 M SVB 3 40 -0.3349 2.0104 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 38 M SMT 2 OCH3 M SVB 2 38 0.9938 0.4949 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 1.0052 -1.9269 S SKP 8 ID FL5FF8NN0001 KNApSAcK_ID C00005038 NAME 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one CAS_RN 162663-69-6 FORMULA C29H28O12 EXACTMASS 568.15807636 AVERAGEMASS 568.5254199999999 SMILES C(OC)(=C(c(c5OC)cc(O)cc5)1)C(=O)c(c(OC)4)c(c(c(c4)3)O[C@H]([C@H](CO)O3)c(c2)c(c(OC)c(c2)O)OC)O1 M END