Mol:FL2FFANS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.8087 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8811 1.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 1.4316 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 S SKP 8 ID FL2FFANS0005 KNApSAcK_ID C00014116 NAME 5,7,8-Trihydroxy-4'-methoxyflavanone CAS_RN 244775-34-6 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1 M END