Mol:FL1CALNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 29 0 0 0 0 0 0 0 0999 V2000 -2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.6188 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 5 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 S SKP 8 ID FL1CALNS0004 KNApSAcK_ID C00014436 NAME 2,3,4,2',4',6'-Hexamethoxychalcone CAS_RN 639087-94-8 FORMULA C21H24O7 EXACTMASS 388.152203122 AVERAGEMASS 388.41106 SMILES COc(c1)c(C(C=Cc(c(OC)2)ccc(OC)c2OC)=O)c(cc1OC)OC M END