Mol:FL2FACNI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 0.0052 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 0.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2447 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -2.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6897 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5648 -1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 4 1 0 9 11 1 0 7 12 2 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 2 18 1 0 15 19 1 0 16 20 1 0 21 6 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 1 22 1 0 S SKP 7 ID FL2FACNI0021 NAME Prokinawan CAS_RN 865852-11-5 FORMULA C25H30O7 EXACTMASS 442.199153314 AVERAGEMASS SMILES AVERAGEMASS 442.50149999999996 SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1 M END