Mol:FL2F1ANI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6194 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6194 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7869 1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2345 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 0.8868 0.0000 O 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 2 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 3 1 0 0 0 0 7 11 2 0 0 0 0 5 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 19 9 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL2F1ANI0011 KNApSAcK_ID C00011114 NAME Brosimacutin C CAS_RN 350221-47-5 FORMULA C20H22O5 EXACTMASS 342.146723814 AVERAGEMASS 342.38568000000004 SMILES Oc(c1)ccc(C(C2)Oc(c(CCC(C)(C)O)3)c(ccc3O)C(=O)2)c1 M END