Mol:FLIAAANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.7270 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 S SKP 8 ID FLIAAANI0002 KNApSAcK_ID C00009494 NAME 6-(1,1-Dimethylallyl)genistein CAS_RN 77390-42-2 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES C=CC(C)(C)c(c(O)1)c(c(C2=O)c(OC=C2c(c3)ccc(O)c3)c1)O M END