Mol:FL1CA9NP0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.8548 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 1.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 0.4922 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 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 3 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 22 24 1 0 0 0 0 24 23 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 S SKP 8 ID FL1CA9NP0009 KNApSAcK_ID C00014444 NAME Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone CAS_RN 405555-04-6 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES COc(c(C(=O)C=Cc(c4)cccc4)1)cc(O3)c(C(O2)C(C3(C)C)2)c1O M END