Mrv1652307191923542D 73 77 0 0 1 0 999 V2000 10.6058 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8391 -0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1243 6.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0538 3.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 5.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 3.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9518 7.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 5.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3595 7.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6224 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8711 0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 6.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0921 1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 0.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 6.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3544 2.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7703 1.8183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0670 0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6153 6.0997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2044 3.3692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8024 4.9325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3472 3.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8336 7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5728 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 6.3865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7829 2.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 3.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0893 2.5650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1067 4.1769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3809 2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 2.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 5.5912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0285 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 4.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 0.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 5.0694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1631 2.1762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 0.6190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 0.8627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7003 1.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5407 7.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9266 2.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9393 4.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 2.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0559 3.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 1.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 4.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8547 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 7.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 5.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 6.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 4.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3809 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9852 0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9272 -0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 7.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8624 6.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2540 2.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2302 5.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3969 3.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 4.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6698 5.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4641 1.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3247 3.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 5.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 14 2 0 0 0 0 21 1 1 6 0 0 0 21 12 1 0 0 0 0 22 2 1 0 0 0 0 22 13 2 0 0 0 0 23 3 1 6 0 0 0 24 4 1 1 0 0 0 25 5 1 1 0 0 0 26 6 1 0 0 0 0 27 7 1 0 0 0 0 28 20 1 0 0 0 0 29 14 1 0 0 0 0 29 23 1 0 0 0 0 31 30 2 0 0 0 0 32 30 1 0 0 0 0 33 28 1 0 0 0 0 34 21 1 0 0 0 0 34 24 1 0 0 0 0 35 24 1 0 0 0 0 35 25 1 0 0 0 0 36 26 2 0 0 0 0 36 31 1 0 0 0 0 37 28 2 0 0 0 0 37 30 1 0 0 0 0 38 31 1 0 0 0 0 38 33 2 0 0 0 0 39 23 1 0 0 0 0 39 25 1 0 0 0 0 40 26 1 0 0 0 0 40 32 2 0 0 0 0 41 32 1 0 0 0 0 42 22 1 0 0 0 0 43 8 1 1 0 0 0 43 41 1 0 0 0 0 44 20 2 0 0 0 0 45 33 1 4 0 0 0 45 42 2 0 0 0 0 46 9 1 0 0 0 0 46 15 1 0 0 0 0 46 16 1 0 0 0 0 47 17 1 0 0 0 0 47 18 1 0 0 0 0 47 44 1 0 0 0 0 48 27 2 0 0 0 0 34 49 1 1 0 0 0 35 50 1 1 0 0 0 51 36 1 0 0 0 0 52 37 1 0 0 0 0 53 38 1 0 0 0 0 54 41 2 0 0 0 0 55 42 1 0 0 0 0 56 10 1 0 0 0 0 29 56 1 1 0 0 0 57 19 1 0 0 0 0 57 43 1 0 0 0 0 58 27 1 0 0 0 0 39 58 1 6 0 0 0 59 40 1 0 0 0 0 59 43 1 0 0 0 0 60 11 1 0 0 0 0 61 12 1 0 0 0 0 62 13 1 0 0 0 0 63 14 1 0 0 0 0 64 19 1 0 0 0 0 65 20 1 0 0 0 0 21 66 1 6 0 0 0 23 67 1 6 0 0 0 24 68 1 1 0 0 0 25 69 1 1 0 0 0 29 70 1 1 0 0 0 34 71 1 6 0 0 0 35 72 1 1 0 0 0 39 73 1 6 0 0 0 M END > T3D2969 > t3db > [H]C(=NN1CCN(C)CC1)C1=C(O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)O\C([H])=C([H])/[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])\C([H])=C(C)/C(O)=NC1=C3O > InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14-,22-13-,44-20-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 > JQXXHWHPUNPDRT-XHVADFQNSA-N > C43H58N4O12 > 822.9402 > 822.40512334 > 15 > 117 > 86.02174658101622 > 0 > 6 > 0 > 0 > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methylpiperazin-1-yl)imino]methyl}-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25(29),26-nonaen-13-yl acetate > 3.91 > 3.2188723197462035 > -4.52 > 0 > 5 > 0 > 6.85111354160892 > -1.6449523151065035 > 15.131291836045648 > 223.63999999999993 > 226.3379000000001 > 5 > 0 > 2.47e-02 g/l > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methylpiperazin-1-yl)imino]methyl}-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,23,25(29),26-nonaen-13-yl acetate > 0 > T3D2969 > Rifampin > 13292-46-1 > 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin sv; RFP; Rifadin; Rifadine; Rifaldin; Rifampicin; Rifampicina; Rifampicinum; Rifoldin; Rimactan; Rimactane; Rofact; Tubocin > Organic Compound; Amine; Hydrazine; Ether; Amide; Ester; Drug; Nucleic Acid Synthesis Inhibitor; Leprostatic Agent; Enzyme Inhibitor; Antibiotic; Antibiotic, Antitubercular; Metabolite; Antituberculosis Agent; Synthetic Compound; Antitubercular Agent $$$$