Mol:FL1DDANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -2.1793 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8533 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4985 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 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 5 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 S SKP 8 ID FL1DDANS0001 KNApSAcK_ID C00014600 NAME Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone CAS_RN 42546-55-4 FORMULA C17H18O5 EXACTMASS 302.115423686 AVERAGEMASS 302.32182 SMILES COc(c1)cc(OC)c(C(=O)CCc(c2)ccc(O)c2)c(O)1 M END