Mol:FLIG1LNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.4525 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -0.4835 0.0000 C 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 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 8 16 2 0 0 0 0 16 9 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 16 19 1 0 0 0 0 19 15 1 0 0 0 0 7 20 2 0 0 0 0 13 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FLIG1LNI0003 KNApSAcK_ID C00010066 NAME Lupinalbin B CAS_RN 98113-96-3 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES o(c43)c(O1)c(c(ccc(O)c4)3)C(c(c2O)c1cc(c(CC=C(C)C)2)O)=O M END