Mol:FLNAA9NP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.2646 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 1.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -0.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 0.0470 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 7 17 2 0 0 0 0 10 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 9 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FLNAA9NP0001 KNApSAcK_ID C00010210 NAME 6-Butyryl-5-hydroxy-4-phenylseselin CAS_RN 80752-02-9 FORMULA C24H22O5 EXACTMASS 390.146723814 AVERAGEMASS 390.42848000000004 SMILES C(=O)(C=3)Oc(c21)c(C(c(c4)cccc4)3)c(c(c1OC(C=C2)(C)C)C(=O)CCC)O M END
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