Marvin 01111011562D 26 29 0 0 0 0 999 V2000 -2.8813 -11.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8722 -12.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 -11.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 -12.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -11.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -12.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 -11.0168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6005 -10.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 -13.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 -9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 -12.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 -10.1877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1713 -10.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -11.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -11.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 -9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6871 -10.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 -8.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 -8.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -8.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 -9.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 -8.5294 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 -11.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 -12.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 -11.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 -12.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 6 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 12 10 1 1 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 20 1 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 5 2 0 0 0 0 24 6 2 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 16 12 1 0 0 0 0 6 4 1 0 0 0 0 26 24 1 0 0 0 0 21 19 2 0 0 0 0 M END > CHEBI:575568 > atovaquone > A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. > 3 > CHEBI:2912 > Wellvone; Mepron; Acuvel; 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone > 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone > atovaquone > C22H19ClO3 > 366.83700 > 366.10227 > 0 > OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O > InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15- > KUCQYCKVKVOKAY-CTYIDZIISA-N > 8076827 > 95233-18-4 > 95233-18-4 > DB01117 > D00236 > Atovaquone > 10658902; 11956677; 12791689; 14727190; 15044733; 15718226; 21735454; 23292347 $$$$