Mol:FLIG1LNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.0865 0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0261 0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 1.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5841 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6974 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6974 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 -0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 0.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 -0.7516 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 8 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 7 17 2 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 1 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 9 26 1 0 0 0 0 26 16 1 0 0 0 0 3 27 1 0 0 0 0 S SKP 8 ID FLIG1LNF0002 KNApSAcK_ID C00010067 NAME Lupinalbin C CAS_RN 98094-86-1 FORMULA C20H16O7 EXACTMASS 368.089602866 AVERAGEMASS 368.33684000000005 SMILES o(c54)c(O1)c(c(ccc(O)c5)4)C(c(c(O)2)c(cc(O3)c2CC(C(C)(C)O)3)1)=O M END