CDK 1029232200 33 35 0 0 0 0 0 0 0 0999 V2000 1.2491 3.2456 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 1.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 3.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 0.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 -0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 -1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 -1.0413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 -1.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 -2.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 -2.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -3.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 -2.4703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0342 0.4769 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 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 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 26 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 7 9 2 0 0 0 0 10 13 2 0 0 0 0 17 19 1 0 0 0 0 24 26 1 0 0 0 0 M END > CHEBI:201602 > Anhydrochlortetracycline hydrochloride > 2 > (4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride > C22H21ClN2O7.ClH > 497.330 > 496.08041 > 0 > ClC=1C=2C(=C(O)C=3C(=O)C4(O)C(O)=C(C(=O)N)C(C(C4CC3C2C)N(C)C)=O)C(O)=CC1.Cl > InChI=1S/C22H21ClN2O7.ClH/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14;/h4-5,9,16,26-27,30,32H,6H2,1-3H3,(H2,24,31);1H > ISGAAFMBTIWTEU-UHFFFAOYSA-N $$$$