Mol:FL1CECNS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6188 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 -1.0717 -0.6188 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 -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6188 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 -1.7862 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.8563 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 6 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 15 24 1 0 0 0 0 17 25 1 0 0 0 0 S SKP 8 ID FL1CECNS0003 KNApSAcK_ID C00014434 NAME Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone CAS_RN 205444-64-0 FORMULA C18H18O7 EXACTMASS 346.10525293 AVERAGEMASS 346.33132 SMILES c(c1C(=O)C=Cc(c2)cc(O)c(O)c2)(O)cc(c(c1OC)OC)OC M END
</pre>