Mol:FL5FACGS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.7742 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7742 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 1.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2932 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8248 0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4234 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -0.5171 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 16 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 26 18 1 0 0 0 0 S SKP 5 ID FL5FACGS0012 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES O(C(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)1)CC(O)C(O)C(O)1 M END