Mol:061c FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.1351 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 0.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 0.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4371 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 -3.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -2.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 -1.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 2.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 3.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 0.2761 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 8 11 1 0 11 12 1 0 12 13 2 0 14 15 2 0 15 16 1 0 16 11 2 0 1 2 2 0 7 17 2 0 1 18 1 0 6 19 1 0 9 20 1 0 20 21 1 0 21 16 1 0 22 23 1 0 23 24 1 0 14 24 1 0 13 22 1 0 13 14 1 0 9 25 1 1 8 26 1 6 19 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 18 31 1 0 S SKP 5 ID 061c FLIF FORMULA C23H22O7 EXACTMASS 410.136553058 AVERAGEMASS 410.41658000000007 SMILES CC(C)=CCc(c(OC)5)c(O1)c(cc5)C(=O)C(O)(c32)C([H])(COc(cc(O4)c(OC4)c3)2)1 M END