Mol:FL1C1ANI0032
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -3.9296 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 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 1.0717 -0.6187 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 1.7862 0.6187 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 2.5006 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8562 0.0000 C 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 -0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.8563 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 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 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 2 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL1C1ANI0032 KNApSAcK_ID C00014457 NAME Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone CAS_RN 178734-44-6 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c2)(ccc(c2O)C(=O)C=Cc(c1)cc(c(O)c(CC=C(C)C)1)CC(O)C(C)=C)O M END
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