Mol:FL2F2CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.7190 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 0.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 -0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0501 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 -0.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -1.2616 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 20 23 1 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 24 19 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 ^OCH3 M SBV 1 31 -8.1837 6.2076 S SKP 8 ID FL2F2CNP0001 KNApSAcK_ID C00008288 NAME Ovalichromene A CAS_RN 62868-04-6 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(O5)(c4OC5)cc(cc4)C(O1)CC(c(c3)c(c(c(c3OC)2)C=CC(O2)(C)C)1)=O M END