Mol:FL1DDCNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2172 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -0.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4282 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -2.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0926 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 2.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 1.1358 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 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 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 18 19 1 0 0 0 0 3 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 15 1 0 0 0 0 20 24 1 0 0 0 0 17 25 1 0 0 0 0 S SKP 8 ID FL1DDCNS0001 KNApSAcK_ID C00014608 NAME 2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone CAS_RN 622851-66-5 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES c(O3)(c1)c(OC3)ccc(CCC(c(c(OC)2)c(OC)cc(OC)c2)=O)1 M END
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