Mol:FL2FAANP0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -0.3265 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 -0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 -1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1022 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 0.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 -2.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8528 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3429 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 3 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 2 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 1 1 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 21 24 1 0 0 0 0 21 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 29 1 0 0 0 0 29 27 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 S SKP 8 ID FL2FAANP0018 KNApSAcK_ID C00014256 NAME 1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone CAS_RN 349491-03-8 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES C(O)(c(c54)c(c(c(O)c4C=CC(O5)(C)C)3)OC(CC3=O)c(c2)ccc(c2)O)C(O1)C1(C)C M END
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