Mol:FLIEACNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 0.2159 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 9 20 2 0 0 0 0 3 21 1 0 0 0 0 15 22 1 0 0 0 0 S SKP 8 ID FLIEACNS0001 KNApSAcK_ID C00009765 NAME Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone CAS_RN 6468-55-9 FORMULA C15H8O7 EXACTMASS 300.02700261 AVERAGEMASS 300.21982 SMILES Oc(c4)cc(O3)c(c(O)4)c(o1)c(C(=O)3)c(c2)c(cc(O)c(O)2)1 M END