Mol:FLIAALNF0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.3670 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6607 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -0.1848 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 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 15 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 FLIAALNF0007 KNApSAcK_ID C00009921 NAME Lupinisoflavone I CAS_RN 121768-55-6 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES c(c12)c(c(c(O)c1C(=O)C(c(c(O)3)ccc(O4)c3CC4C(C)(C)O)=CO2)CC=C(C)C)O M END
</pre>