Mol:FLII1CNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 24 0 0 0 0 0 0 0 0999 V2000 -2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 2.1723 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 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 10 2 0 0 0 0 7 16 1 0 0 0 0 1 2 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 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 -2.6925 1.3062 S SKP 8 ID FLII1CNS0003 KNApSAcK_ID C00009803 NAME 2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran CAS_RN 67236-31-1 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c4)cc(O)c(c4)c(c1)oc(c2)c(cc(O3)c(OC3)2)1 M END