Mol:FLIAAFNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.3617 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 1.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 2.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 2.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8054 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -0.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 -0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 0.8325 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.2034 1.245 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 1.8461 0.0089 S SKP 8 ID FLIAAFNI0001 KNApSAcK_ID C00009878 NAME Piscerythrinetin;5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylisoflavone CAS_RN 126484-16-0 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES c(c(OC)3)(OC)cc(cc3CC=C(C)C)C(=C2)C(=O)c(c1O2)c(O)cc(c1)O M END