Mol:FL5FAINS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 2.6397 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.4901 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 1.9832 -0.022 S SKP 8 ID FL5FAINS0001 KNApSAcK_ID C00004767 NAME Syringetin CAS_RN 4423-37-4 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c1)c(O)c(OC)cc1C(O2)=C(O)C(=O)c(c(O)3)c(cc(O)c3)2 M END