Mol:FL3FAGGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -4.5832 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 0.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2872 0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 2.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 -0.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 -1.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -2.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -0.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 -2.2069 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 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 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 22 1 0 0 0 0 S SKP 5 ID FL3FAGGS0002 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES O(C1)C(Oc(c2)c(O)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)2)C(O)C(C(O)1)O M END