Mol:FLIAALNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.1192 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7302 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.5150 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 3 20 1 0 0 0 0 7 21 2 0 0 0 0 14 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 16 26 1 0 0 0 0 23 27 1 0 0 0 0 S SKP 8 ID FLIAALNF0003 KNApSAcK_ID C00009838 NAME Lupinisoflavone B CAS_RN 91681-64-0 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES c(C3=O)(c(OC=C(c(c4)c(O)cc(O)c4)3)2)c(O)c(c1c2)CC(C(C)(C)O)O1 M END