Mol:FL5FFCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.7583 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -0.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 -0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -0.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 -2.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1415 2.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 1.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7594 1.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2703 2.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 1.6193 0.0000 O 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 26 29 1 0 0 0 0 24 30 1 0 0 0 0 30 6 1 0 0 0 0 8 31 1 0 0 0 0 25 32 1 0 0 0 0 15 33 1 0 0 0 0 S SKP 5 ID FL5FFCGS0001 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)OC(O1)C(O)C(O)C(O)C(C)1 M END