CDK 1030232203 40 45 0 0 0 0 0 0 0 0999 V2000 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 7 8 1 0 0 0 0 12 16 1 0 0 0 0 15 18 2 0 0 0 0 27 28 1 0 0 0 0 33 35 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:222637 > Luteosporin > 2 > 8-(6,7-dihydroxy-3-methyl-1,9,10-trioxo-3,4-dihydrobenzo[h]isochromen-8-yl)-6,7-dihydroxy-3-methyl-3,4-dihydrobenzo[h]isochromene-1,9,10-trione > C28H18O12 > 546.440 > 546.07983 > 0 > O=C1OC(CC=2C1=C3C(=O)C(=O)C(C4=C(O)C5=C(C=6C(=O)OC(C)CC6C=C5O)C(C4=O)=O)=C(C3=C(O)C2)O)C > InChI=1S/C28H18O12/c1-7-3-9-5-11(29)15-17(13(9)27(37)39-7)23(33)25(35)19(21(15)31)20-22(32)16-12(30)6-10-4-8(2)40-28(38)14(10)18(16)24(34)26(20)36/h5-8,29-32H,3-4H2,1-2H3 > LRSMMSOKJBQFJZ-UHFFFAOYSA-N $$$$