Mol:FLIG1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.8946 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -0.1272 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 13 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 20 15 1 0 0 0 0 7 21 2 0 0 0 0 14 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 FLIG1LNI0002 KNApSAcK_ID C00010064 NAME Lupinalbin D CAS_RN 98094-85-0 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES O(c42)c(c1)c(C(c2c(c(o4)3)ccc(O)c(CC=C(C)C)3)=O)c(cc(O)1)O M END