Mol:FL6DE9NF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6004 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -0.8386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6248 -0.5175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6248 0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0685 0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1776 1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -0.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -1.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -0.2990 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 6 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 1 1 0 0 0 0 7 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 29 M SMT 4 OCH3 M SVB 4 29 -2.3149 -0.426 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -1.4522 -1.0155 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.0233 -1.3798 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -0.3679 -0.9992 S SKP 8 ID FL6DE9NF0001 KNApSAcK_ID C00009026 NAME 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan CAS_RN 77970-11-7 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES O(C)C(C1c(c4)cccc4)C(OC)c(c(OC)2)c(c(c3)c(oc3)c2OC)O1 M END