Mol:FL7AAAGO0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -3.4080 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0058 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0058 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 -1.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 0.5954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.0973 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5264 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -1.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4105 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 -0.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 -0.7418 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 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 3 19 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 20 8 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAAGS0002 FORMULA C20H19O9 EXACTMASS 403.10290720600005 AVERAGEMASS 403.35946 SMILES c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 M END