Mol:FL6FACGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.6806 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6806 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 -0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2517 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2517 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 -0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1772 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 0.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 1.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 0.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0181 -2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2809 -2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0866 -1.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -2.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -2.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 -1.7977 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 29 3 1 0 0 0 0 S SKP 5 ID FL6FACGS0001 FORMULA C20H22O9 EXACTMASS 406.126382302 AVERAGEMASS 406.38328 SMILES C(O1)(Oc(c4)c(c(cc(O)4)3)CCC(O3)c(c2)cc(c(O)c2)O)C(O)C(C(O)C1)O M END