Mol:FL2FACNI0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.6825 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 0.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -2.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9599 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 2.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2309 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 1.0176 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 6 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 21 22 1 0 0 0 0 13 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 S SKP 8 ID FL2FACNI0016 KNApSAcK_ID C00014201 NAME Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone CAS_RN 677709-68-1 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(CO)C)1)O M END