Mol:FL2FAANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -5.0067 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0067 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 0.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -1.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7657 0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7657 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3029 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 4 1 0 9 11 1 0 7 12 2 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 2 18 1 0 15 19 1 0 6 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 24 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 14 21 1 0 S SKP 9 M END ID FL2FAANI0024 KNApSAcK_ID C00014186 NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone CAS_RN 171370-48-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O M END