Mol:FLIAALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.1965 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1956 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 1.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 -0.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -0.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -0.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -1.2997 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FLIAALNI0002 KNApSAcK_ID C00002545 NAME Luteone (isoflavone) CAS_RN 41743-56-0 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)=C2)=O)C=C(C)C M END