Mol:FLIAALND0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.7837 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 -0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -0.2900 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 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 15 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 14 26 1 0 0 0 0 23 27 1 0 0 0 0 22 28 2 0 0 0 0 16 29 1 0 0 0 0 26 30 1 0 0 0 0 30 28 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FLIAALND0002 KNApSAcK_ID C00009934 NAME Lupinisoflavone K CAS_RN 128700-26-5 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES c(c(O)4)(c1cc(O5)c4CC5C(C)(C)O)C(C(c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=CO1)=O M END