Mol:FL2F1ANI0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 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 -2.7844 0.6403 0.0000 O 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 9 20 1 6 0 0 0 23 26 1 0 0 0 0 S SKP 8 ID FL2F1ANI0009 KNApSAcK_ID C00011112 NAME Brosimacutin A CAS_RN 350221-43-1 FORMULA C20H22O6 EXACTMASS 358.141638436 AVERAGEMASS 358.38508 SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)c(CC(O)C(C)(C)O)c(cc2)O)c1 M END