Mol:FL2FALNI0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.4974 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -0.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3112 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -2.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 1.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -1.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 2.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 2.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 6 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 12 24 1 0 0 0 0 21 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL2FALNI0031 KNApSAcK_ID C00014170 NAME Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone CAS_RN 254886-76-5 FORMULA C21H22O7 EXACTMASS 386.136553058 AVERAGEMASS 386.39518 SMILES O(C(c(c3)c(cc(O)c3OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O M END