Mol:FL5F1CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -1.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 0.9114 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 16 30 1 0 0 0 0 15 31 1 0 0 0 0 S SKP 8 ID FL5F1CNP0002 KNApSAcK_ID C00005083 NAME Macaflavone I CAS_RN 102848-03-3 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(=C1)c(c4)c(c(CC=C(C)C)c(c42)OC(c(c3)cc(c(O)c3)O)=C(O)C2=O)OC(C)(C)1 M END