Mol:FL3FFCGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 1.4285 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 -0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2788 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4607 1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 1.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 22 1 0 0 0 0 S SKP 5 ID FL3FFCGS0022 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(O2)C(O)C(O)C(O)C(C)2)c1O M END