Mol:FLNAA9NI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.3924 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 0.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 -1.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4498 -0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 2.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 1.3119 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 19 20 1 0 0 0 0 20 9 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 1 29 1 0 0 0 0 25 30 1 0 0 0 0 S SKP 8 ID FLNAA9NI0006 KNApSAcK_ID C00010229 NAME 5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylbutyryl)-4-phenylcoumarin;Mammea A/BB CAS_RN 6916-62-7 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES c(c12)(C(C(C)CC)=O)c(c(CC=C(C)C)c(c1C(c(c3)cccc3)=CC(=O)O2)O)O M END