Mol:FLIA1CNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.0709 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8514 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 -1.6763 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 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 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 15 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 3.1369 -0.8826 S SKP 8 ID FLIA1CNI0002 KNApSAcK_ID C00009811 NAME 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone CAS_RN 82345-38-8 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(c1)c(cc(O2)c(C(C(c(c3)cc(O)c(OC)c3)=C2)=O)1)OCC=C(C)C M END