Mol:FLIAALNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6936 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 2.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 -2.0994 0.0000 O 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 16 26 1 0 0 0 0 14 27 1 0 0 0 0 S SKP 8 ID FLIAALNF0005 KNApSAcK_ID C00009910 NAME Lunatone CAS_RN 104363-13-5 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES C(c41)C(C(C)(C)O)Oc1cc(c(c42)C(C(c(c3)c(O)cc(O)c3)=CO2)=O)O M END