124201689 CDK 0316221018 36 39 0 0 0 0 0 0 0 0999 V2000 8.3323 -1.5860 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 1.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 1.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -0.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3323 1.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 -1.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 0.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 -0.3363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8062 -0.3363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4922 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8062 0.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8863 -0.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0981 -0.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4922 0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6039 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6039 0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3805 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 -1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3805 0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 -1.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 -1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 1 0 0 0 0 17 3 1 6 0 0 0 18 4 1 1 0 0 0 5 20 2 0 0 0 0 6 23 1 0 0 0 0 7 21 2 0 0 0 0 8 25 2 0 0 0 0 9 29 1 0 0 0 0 10 32 2 0 0 0 0 19 11 1 6 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 6 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 6 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 19 25 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 23 27 2 0 0 0 0 24 29 2 0 0 0 0 25 27 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 33 34 2 0 0 0 0 M END > CHEBI:190245 > 11a-Hydroxy-7-chlortetracycline > 2 > (4S,4aS,5aR,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11a,12a-pentahydroxy-6-methyl-3,11,12-trioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide > C22H23ClN2O9 > 494.880 > 494.10921 > 0 > ClC1=C2[C@@](O)([C@]3(C[C@@]4([C@](O)(C(=O)C3(O)C(=O)C2=C(O)C=C1)C(O)=C(C(=O)[C@H]4N(C)C)C(=O)N)[H])[H])C > InChI=1S/C22H23ClN2O9/c1-20(32)10-6-7-14(25(2)3)15(27)12(18(24)30)17(29)21(7,33)19(31)22(10,34)16(28)11-9(26)5-4-8(23)13(11)20/h4-5,7,10,14,26,29,32-34H,6H2,1-3H3,(H2,24,30)/t7-,10+,14-,20-,21+,22?/m0/s1 > XMNCXQDCUCCGJX-PRVYJEFOSA-N > C21439 $$$$