Ketcher 06021516272D 1 1.00000 0.00000 0 27 29 0 0 0 999 V2000 18.4586 -21.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5972 -22.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4628 -20.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3199 -22.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7276 -21.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5972 -23.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3282 -20.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5972 -20.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1854 -21.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3158 -23.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7276 -20.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8621 -22.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 -23.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1896 -20.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8621 -20.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9924 -21.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0592 -20.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0592 -19.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9206 -20.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9289 -18.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7902 -20.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7944 -19.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9330 -17.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6640 -18.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8026 -17.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5294 -19.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0001 -20.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 18 20 2 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 8 11 2 0 0 0 9 14 2 0 0 0 21 22 2 0 0 0 15 27 1 0 0 0 M END > CHEBI:9159 > sinensetin > A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. > 3 > Pedalitin permethyl ether; 5,6,7,3',4'-Pentamethoxyflavone > 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one > C20H20O7 > 372.36860 > 372.12090 > 0 > COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1 > InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3 > LKMNXYDUQXAUCZ-UHFFFAOYSA-N > 2306-27-6 > 345748 > 2306-27-6 > C10186 > C00013596 > LSM-3903 > LMPK12111250 > Sinensetin > 22438091; 25735898 $$$$