Mol:FLNAA9NP0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.6287 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 0.6780 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 2 18 1 0 0 0 0 18 19 2 0 0 0 0 10 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 9 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 19 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 0 0 0 0 S SKP 8 ID FLNAA9NP0009 KNApSAcK_ID C00010223 NAME Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin CAS_RN 21721-08-4 FORMULA C24H22O5 EXACTMASS 390.146723814 AVERAGEMASS 390.42848000000004 SMILES c(c4)c(ccc4)C(c12)=CC(=O)Oc(c(C=3)c(OC(C3)(C)C)c(C(=O)C(C)C)c(O)2)1 M END