Mol:FLII1ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 -0.6104 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1954 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 13 16 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 19 20 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 0.7661 0.8688 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 -2.218 -0.4563 S SKP 8 ID FLII1ANS0001 KNApSAcK_ID C00002414 NAME Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran CAS_RN 57800-41-6 FORMULA C16H14O4 EXACTMASS 270.089208936 AVERAGEMASS 270.27996 SMILES COc(c3)cc(o1)c(c3)cc1c(c2)c(OC)cc(O)c2 M END