Mol:FL2F1CNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.5135 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0487 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9343 1.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 0.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 0.5748 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 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL2F1CNP0003 KNApSAcK_ID C00014233 NAME Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone CAS_RN 142608-89-7 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES c(c1)(c(OC)cc(C(O2)CC(c(c4)c(c(c(c4)3)C=CC(C)(C)O3)2)=O)c1)OC M END