Mol:FL1DA9NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 1.2403 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1698 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 1.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 1.2885 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 21 26 1 6 0 0 0 S SKP 8 ID FL1DA9NP0001 KNApSAcK_ID C00008012 NAME 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone CAS_RN 125574-35-8 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES c(c32)(c(c(c(c(C(O)CC(O3)(C)C)2)O)C)O)C(=O)CCc(c1)cccc1 M END