Mol:FL1C1ANI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 -3.0412 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2821 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 0.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 2.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 -2.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 -1.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 -0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -2.0362 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 5 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 S SKP 8 ID FL1C1ANI0021 KNApSAcK_ID C00011138 NAME Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone CAS_RN 851771-48-7 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(O)(Cc(c1O)cc(C=CC(c(c(O)2)cc(CC(O)C(C)=C)c(c2)O)=O)cc1)C(C)=C M END