Mol:FL1C1ANI0026
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -6.6704 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9568 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9558 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3849 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 0.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9011 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 -1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4727 -1.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.4325 0.0000 O 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 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 S SKP 8 ID FL1C1ANI0026 KNApSAcK_ID C00014451 NAME Isogemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone CAS_RN 189031-28-5 FORMULA C29H26O7 EXACTMASS 486.167853186 AVERAGEMASS 486.51253999999994 SMILES c(c2C(=O)C=Cc(c3)ccc(O)c3)(O)c(c(O)cc2)CC=C(C)COC(=O)C=Cc(c1)ccc(c1)O M END
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