Mol:FL5FAAGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.1476 -4.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 -4.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 -3.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2653 -4.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -3.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 -2.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 -2.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4585 -3.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2999 -2.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 -1.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 -0.4941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8863 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6317 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -1.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7694 -0.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0239 -0.7071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5468 -0.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -0.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -4.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -5.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0818 -5.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -2.5013 0.0000 O 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 31 2 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SVB 1 35 3.2219 -1.5103 S SKP 8 ID FL5FAAGM0001 KNApSAcK_ID C00005801 NAME 6-C-Methylkaempferol 3-glucoside CAS_RN 68116-36-9 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES c(c4O)(c(O)c(c(c4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O)C M END