Mol:FL4DA9NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7968 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8071 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8071 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8071 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 -1.3645 0.0000 O 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 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 8 24 1 6 0 0 0 2 25 1 0 0 0 0 S SKP 8 ID FL4DA9NI0002 KNApSAcK_ID C00008608 NAME (2R,3S)-3,5,7-Trihydroxy-6-prenylflavanone CAS_RN 89648-66-8 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(c(c3O)c(O)cc(c32)OC(C(C2=O)O)c(c1)cccc1)C=C(C)C M END