Mol:FL2FAANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -5.0065 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0065 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8949 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8949 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 -2.8949 -1.7400 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 1.8439 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 -4.3028 -1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7098 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 2.1341 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2809 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9953 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9953 -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 8 ID FL2FAANI0024 KNApSAcK_ID C00014186 NAME Macarangaflavanone CAS_RN 171370-48-2 FORMULA C25H28O5 EXACTMASS AVERAGEMASS SMILES EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES CC(C)=CCCC(C)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 M END