Mol:FL3FECGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.2305 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -1.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -2.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 0.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 -0.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 -1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 0.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 2.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 1.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 -0.1416 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 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 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 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 1 0 0 0 0 24 21 1 0 0 0 0 S SKP 5 ID FL3FECGS0009 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(=O)(C=3)c(c2O)c(OC3c(c4)cc(c(O)c4)O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 M END