Mol:FL2FAANP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.6093 0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 -0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 0.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 1.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6704 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4095 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 0.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0924 1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 0.9673 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 18 14 1 0 0 0 0 3 19 1 0 0 0 0 6 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 1 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 22 30 1 0 0 0 0 S SKP 8 ID FL2FAANP0012 KNApSAcK_ID C00014236 NAME Cycloaltilisin 7;5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone CAS_RN 432041-07-1 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES O(C3c(c4)ccc(c4)O)c(c21)c(C(=O)C3)c(cc1OC(C)(C=C2)CCC=C(C)C)O M END