Mol:FL1DAANI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 36 0 0 0 0 0 0 0 0999 V2000 -0.6173 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6173 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -1.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 0.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -1.6015 0.0000 C 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 4 20 1 0 0 0 0 12 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 20 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL1DAANI0002 KNApSAcK_ID C00008020 NAME 3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone CAS_RN 156788-64-6 FORMULA C30H38O5 EXACTMASS 478.271924326 AVERAGEMASS 478.61972000000003 SMILES c(c1)(c(O)c(CC=C(C)CCC=C(C)C)cc1CCC(=O)c(c2O)c(cc(O)c2)O)CC=C(C)C M END
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