Mol:FL1CCBNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.7853 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7853 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4997 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 0.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 1.2534 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 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 7 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 17 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 S SKP 8 ID FL1CCBNP0001 KNApSAcK_ID C00014479 NAME 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone CAS_RN 143885-77-2 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES C(=Cc(c3)ccc(c3)OC)C(c(c21)c(cc(OC)c1C=CC(O2)(C)C)O)=O M END