Mol:FLIA1CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.7104 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2673 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4223 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -1.5132 0.0000 O 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 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 14 1 0 0 0 0 S SKP 8 ID FLIA1CNP0001 KNApSAcK_ID C00009438 NAME Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone CAS_RN 62502-14-1 FORMULA C21H16O5 EXACTMASS 348.099773622 AVERAGEMASS 348.34874 SMILES O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1 M END