Mol:FL3FA9NC0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.8424 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 -1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0729 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 -1.9036 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 2 18 1 0 0 0 0 19 3 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 22 25 1 0 0 0 0 24 26 2 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 32 M SMT 2 OCH3 M SVB 2 32 -2.393 -1.4911 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 -1.1996 1.2193 S SKP 8 ID FL3FA9NC0002 KNApSAcK_ID C00004069 NAME Hoslundin CAS_RN 135404-51-2 FORMULA C23H18O7 EXACTMASS 406.10525293 AVERAGEMASS 406.38482 SMILES c(c3)(c2c(O)c(C(=C4)C(C(=C(C)O4)OC)=O)c3OC)OC(=CC(=O)2)c(c1)cccc1 M END