Ketcher 11101513312D 1 1.00000 0.00000 0 37 41 0 0 0 999 V2000 17.6847 -11.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1849 -10.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1851 -10.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6853 -11.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1850 -12.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1849 -12.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2291 -13.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6855 -11.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6847 -10.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6845 -11.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0502 -10.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5501 -10.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5499 -10.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0499 -11.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -12.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 -12.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0502 -11.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5059 -13.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 -11.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0504 -11.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 -12.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6981 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3673 -13.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3676 -13.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0369 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0151 -12.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3243 -13.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3026 -13.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6550 -14.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6767 -14.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8674 -14.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0583 -14.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 -14.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4107 -13.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4323 -13.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7277 -11.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0071 -11.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 1 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 12 17 1 0 0 0 16 18 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 29 30 2 0 0 0 24 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 23 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 21 34 1 0 0 0 34 35 2 0 0 0 26 10 1 0 0 0 25 36 1 0 0 0 22 37 1 0 0 0 M END > CHEBI:90290 > pacein > A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. > 3 > NSC 610930 > 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione > C28H24N2O7 > 500.500 > 500.15835 > 0 > C1(=C(C=C(C=C1C)O)O)NC2=C(C3=C4C(=C(NC5=C(C=C(C=C5C)O)O)C(C=C4OC3=CC2=O)=O)C)C > InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3 > VPEASJIRGSVXBF-UHFFFAOYSA-N > 1400-62-0 > 25240451 > 1400-62-0 > CPD-12326 $$$$