Mol:FLID1ANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 25 0 0 0 0 0 0 0 0999 V2000 -1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.0046 0.0000 C 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 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 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 12 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 S SKP 8 ID FLID1ANF0001 KNApSAcK_ID C00009637 NAME Neodunol CAS_RN 53766-53-3 FORMULA C17H12O4 EXACTMASS 280.073558872 AVERAGEMASS 280.27477999999996 SMILES Oc(c5)cc(O1)c(c5)C(C4)C1c(c2)c(O4)cc(o3)c(cc3)2 M END