Mol:FL1DA9NP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 1.2403 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -1.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 -1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 1.5758 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 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 12 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 20 15 1 0 0 0 0 13 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 6 0 0 0 S SKP 8 ID FL1DA9NP0002 KNApSAcK_ID C00008013 NAME 2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone CAS_RN 125574-36-9 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES O(c12)C(C)(C)C(O)Cc1c(c(c(O)c2C(=O)CCc(c3)cccc3)C)O M END
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