Mol:FLIB1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0022 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8896 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 0.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -0.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 -0.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 2.2764 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 1 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 18 14 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 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 22 26 1 0 0 0 0 S SKP 8 ID FLIB1LNI0002 KNApSAcK_ID C00009956 NAME 5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone CAS_RN 94388-79-1 FORMULA C20H22O6 EXACTMASS 358.141638436 AVERAGEMASS 358.38508 SMILES c(c1)c(c(CCC(C)(C)O)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O M END