Mol:FLIAALNI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.8761 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -1.3190 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 14 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 30 31 2 0 0 0 0 S SKP 8 ID FLIAALNI0011 KNApSAcK_ID C00009883 NAME Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone CAS_RN 124166-28-5 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c(O)3)c(O2)c(c(O)c3)C(C(=C2)c(c1)c(O)c(c(c1C(C)(C)C=C)O)CC=C(C)C)=O M END