Mol:FL3FALNP0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.6514 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1031 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 -1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 6 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 25 15 1 0 0 0 0 14 26 1 0 0 0 0 17 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 28 8 1 0 0 0 0 S SKP 8 ID FL3FALNP0013 KNApSAcK_ID C00004105 NAME 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2 CAS_RN 133740-64-4 FORMULA C25H26O8 EXACTMASS 454.162767808 AVERAGEMASS 454.46914 SMILES Oc(c1)c(O)cc(O)c1C(O4)=C(C(=O)c(c43)c(cc(c32)OC(C=C2)(C)C)O)CCC(C)(C)O M END