Mol:FL3FACGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.1062 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8521 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0507 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5425 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 -0.7225 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 S SKP 5 ID FL3FACGS0005 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)1)O M END