Mol:FLIA1LNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.3657 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 16 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FLIA1LNP0007 KNApSAcK_ID C00009871 NAME Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone CAS_RN 116109-15-4 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O M END