Mol:FLIAALNF0009
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.0617 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7196 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0502 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 0.9023 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 3 20 1 0 0 0 0 7 21 2 0 0 0 0 15 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 14 26 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 S SKP 8 ID FLIAALNF0009 KNApSAcK_ID C00009933 NAME Lupinisoflavone H CAS_RN 121747-92-0 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES c(c(CC=C(C)C)1)(ccc(C(=C4)C(=O)c(c(O)2)c(O4)cc(O3)c2CC3C(C)(C)O)c1O)O M END
</pre>