Mol:FL1CBANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -3.6214 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -0.6461 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 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 13 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 22 27 1 0 0 0 0 S SKP 8 ID FL1CBANP0003 KNApSAcK_ID C00014478 NAME Dehydrocycloxanthohumol hydrate;Xanthohumol B;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone CAS_RN 189308-10-9 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES COc(c2C(=O)C=Cc(c3)ccc(O)c3)cc(c(c2O)1)OC(C)(C)C(O)C1 M END