Mol:FL2FACNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.6416 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 1.5418 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 20 15 1 0 0 0 0 5 21 1 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 23 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FL2FACNI0008 KNApSAcK_ID C00008468 NAME Gancaonin E CAS_RN 124596-89-0 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(=C(C)C)Cc(c1)c(c(O)cc1C(C3)Oc(c(C(=O)3)2)c(c(O)cc2O)CC=C(C)C)O M END