Mol:FL2FA9NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -0.5993 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 -0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 -0.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 0.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3159 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 -1.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 0.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -1.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6111 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 18 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 23 21 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL2FA9NI0002 KNApSAcK_ID C00008163 NAME 5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone CAS_RN 94390-14-4 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(C1)(c(c4)cccc4)Oc(c2)c(c(cc(OCC(C(C)(C)3)O3)2)O)C(=O)1 M END