Mol:FL1C1ANP0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -4.2471 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2471 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8182 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8182 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8739 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6495 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7852 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 0.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 1.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8739 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 S SKP 8 ID FL1C1ANP0019 KNApSAcK_ID C00014467 NAME Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone CAS_RN 216753-67-2 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES c(O1)(c4)c(cc(c(O)4)C(=O)C=Cc(c2)ccc(O3)c2CCC3(C)C)CCC(C)(C)1 M END