Mol:FLIAALNF0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.7819 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 0.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 1.9380 0.0000 O 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 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 16 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 S SKP 8 ID FLIAALNF0006 KNApSAcK_ID C00009918 NAME Lupinisoflavone J CAS_RN 121747-95-3 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES Oc(c2)c(c(c(C(=C3)C(c(c(O)4)c(cc(c4CC=C(C)C)O)O3)=O)c2)1)CC(O1)C(C)(C)O M END