Mol:FL2FALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 1.8032 0.0000 C 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 17 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FALNI0008 KNApSAcK_ID C00008466 NAME Kushenol E CAS_RN 99119-72-9 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c(CC=C(C)C)3)(c1c(O)c(CC=C(C)C)c3O)OC(c(c2)c(O)cc(O)c2)CC(=O)1 M END