Mol:093g FLIJ
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.1023 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1023 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9435 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3279 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 1 2 2 0 6 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 17 2 0 18 23 1 0 20 24 1 0 1 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 2 1 0 26 29 1 0 26 30 1 0 S SKP 5 ID 093g FLIJ FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES CC(C)=CCc(c21)c(O4)c(C=CC(C)(C)4)cc(CC(Oc(c3)c(O)cc(O)c3)CO2)1 M END