Mol:FL2FAANP0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.8295 0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 -0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 1.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 1.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -1.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 1.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 1.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 0.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6725 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 -0.3017 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 6 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 18 14 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 2 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 S SKP 8 ID FL2FAANP0015 KNApSAcK_ID C00014242 NAME (2S)-4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone CAS_RN 466689-44-1 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES O(c24)C(CC(c2c(O)c(c3c(CO)4)C=CC(C)(C)O3)=O)c(c1)ccc(O)c1 M END