Mol:FLNAA9NI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -0.2646 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -1.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2646 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 2.5946 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 21 1 1 0 0 0 0 9 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FLNAA9NI0002 KNApSAcK_ID C00010211 NAME 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin CAS_RN 54947-82-9 FORMULA C24H24O5 EXACTMASS 392.162373878 AVERAGEMASS 392.44436 SMILES C(C(c(c(O)3)c(O)c(c1c3C=CC(C)C)C(c(c2)cccc2)=CC(O1)=O)=O)CC M END
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