Mol:FL5FFAGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.6479 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -2.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 -2.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 1.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 1.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 2.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8872 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 2.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 6 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 22 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 5 ID FL5FFAGS0022 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O M END