Mol:FL3FALNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.5474 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 -0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 -1.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 1.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 0.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 18 15 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 17 30 1 0 0 0 0 22 31 1 0 0 0 0 31 24 1 0 0 0 0 S SKP 8 ID FL3FALNP0003 KNApSAcK_ID C00004038 NAME Brosimone G CAS_RN 123064-84-6 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(C(=C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)(c1)c(O)cc(O)c1 M END