Mol:FLIA1CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -0.8785 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8785 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 1.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6028 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 1.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6028 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 0.4857 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 1 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 18 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 S SKP 8 ID FLIA1CNI0001 KNApSAcK_ID C00009439 NAME Maximaisoflavone B CAS_RN 4737-28-4 FORMULA C21H18O5 EXACTMASS 350.115423686 AVERAGEMASS 350.36462 SMILES O(C1)c(c2)c(ccc(C(C4=O)=COc(c43)cc(cc3)OCC=C(C)C)2)O1 M END