Mol:FLII1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 -0.2560 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 11 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 1.7683 0.1565 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.4828 0.0779 S SKP 8 ID FLII1CNS0001 KNApSAcK_ID C00002409 NAME Sainfuran CAS_RN 90664-32-7 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 M END