Mol:FLIAAANI0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.0045 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 2.1206 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 14 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FLIAAANI0009 KNApSAcK_ID C00009896 NAME Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone CAS_RN 104691-86-3 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(O)c2 M END