Mol:FLIAAANP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.6178 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3926 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3926 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3531 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3531 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 0.3530 0.0000 O 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 3 17 1 0 0 0 0 7 18 2 0 0 0 0 15 19 1 0 0 0 0 14 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 1 30 1 0 0 0 0 S SKP 8 ID FLIAAANP0011 KNApSAcK_ID C00009935 NAME Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone CAS_RN 128988-20-5 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES Oc(c12)cc(c(c1OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C2=O)CC=C(C)C)O M END