Mol:FL2FA8NI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0871 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6756 0.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7362 0.2529 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 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 12 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FL2FA8NI0008 KNApSAcK_ID C00014199 NAME Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone CAS_RN 254886-73-2 FORMULA C25H30O6 EXACTMASS 426.204238692 AVERAGEMASS 426.5021 SMILES c(c1O)c(c(C(=O)3)c(OC(C3)c(c2O)cccc2)c(CC(CCC(C)(C)O)C(C)=C)1)O M END