Mol:FL2F2CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.5036 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7721 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5084 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8931 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7896 -0.6744 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 18 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 1 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FL2F2CNP0002 KNApSAcK_ID C00014244 NAME Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone CAS_RN 142608-90-0 FORMULA C23H24O6 EXACTMASS 396.1572885 AVERAGEMASS 396.43306 SMILES c(C(O2)CC(c(c4)c(c(c(c4OC)3)C=CC(O3)(C)C)2)=O)(c1)cc(c(c1)OC)OC M END