Mol:FL1CA8NS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -2.5006 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.4438 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 16 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 S SKP 8 ID FL1CA8NS0001 KNApSAcK_ID C00014422 NAME 2,2',4'-Trihydroxy-6'-methoxychalcone CAS_RN 260541-75-1 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c1)c(C(=O)C=Cc(c2)c(O)ccc2)c(O)cc(O)1 M END
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