Mrv1652307201922402D 77 82 0 0 1 0 999 V2000 10.6977 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8561 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1413 6.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1070 3.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6252 5.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 7.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 5.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 7.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2611 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3153 1.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9097 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1202 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6612 0.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0532 6.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5575 0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2456 6.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 1.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8182 1.8272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1016 0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6576 6.1296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2544 3.3857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8505 4.9567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3636 3.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7994 7.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9561 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8800 6.4178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8063 2.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7703 3.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1387 2.5776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1563 4.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3975 2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5342 2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3450 5.6186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0483 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 4.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2877 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 5.0942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1878 2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 0.6220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2168 0.8669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7381 1.5358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5132 7.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0005 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9868 4.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 2.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9336 3.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 1.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 4.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -0.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 7.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 5.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9446 6.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2026 4.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1255 1.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 7.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 7.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2994 2.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2705 5.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4430 3.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 4.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7074 5.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5931 1.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3704 3.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 5.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 17 2 0 0 0 0 24 1 1 6 0 0 0 24 13 1 0 0 0 0 25 2 1 0 0 0 0 25 14 2 0 0 0 0 26 3 1 6 0 0 0 27 4 1 1 0 0 0 28 5 1 1 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 15 1 0 0 0 0 31 16 1 0 0 0 0 32 23 1 0 0 0 0 33 17 1 0 0 0 0 33 26 1 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 32 1 0 0 0 0 38 24 1 0 0 0 0 38 27 1 0 0 0 0 39 27 1 0 0 0 0 39 28 1 0 0 0 0 40 29 2 0 0 0 0 40 35 1 0 0 0 0 41 32 2 0 0 0 0 41 34 1 0 0 0 0 42 35 1 0 0 0 0 42 37 2 0 0 0 0 43 26 1 0 0 0 0 43 28 1 0 0 0 0 44 29 1 0 0 0 0 44 36 2 0 0 0 0 45 36 1 0 0 0 0 46 25 1 0 0 0 0 47 8 1 1 0 0 0 47 45 1 0 0 0 0 48 23 2 0 0 0 0 49 37 1 4 0 0 0 49 46 2 0 0 0 0 50 18 1 0 0 0 0 50 19 1 0 0 0 0 50 31 1 0 0 0 0 51 20 1 0 0 0 0 51 21 1 0 0 0 0 51 48 1 0 0 0 0 52 30 2 0 0 0 0 38 53 1 1 0 0 0 39 54 1 1 0 0 0 55 40 1 0 0 0 0 56 41 1 0 0 0 0 57 42 1 0 0 0 0 58 45 2 0 0 0 0 59 46 1 0 0 0 0 60 9 1 0 0 0 0 33 60 1 1 0 0 0 61 22 1 0 0 0 0 61 47 1 0 0 0 0 62 30 1 0 0 0 0 43 62 1 6 0 0 0 63 44 1 0 0 0 0 63 47 1 0 0 0 0 64 12 1 0 0 0 0 65 13 1 0 0 0 0 66 14 1 0 0 0 0 67 17 1 0 0 0 0 68 22 1 0 0 0 0 69 23 1 0 0 0 0 24 70 1 6 0 0 0 26 71 1 6 0 0 0 27 72 1 1 0 0 0 28 73 1 1 0 0 0 33 74 1 1 0 0 0 38 75 1 6 0 0 0 39 76 1 1 0 0 0 43 77 1 6 0 0 0 M END > T3D3018 > t3db > [H]\C(=N/N1CCN(CC1)C1CCCC1)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/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17-,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 > WDZCUPBHRAEYDL-IWVAIHGYSA-N > C47H64N4O12 > 877.0307 > 876.452073532 > 15 > 127 > 93.79177626190153 > 0 > 6 > 0 > 0 > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-26-[(1E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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 > 4.74 > 3.82139874122348 > -4.79 > 1 > 6 > 0 > 7.070039342783351 > -1.637373058200926 > 15.131291887889159 > 223.63999999999993 > 242.75110000000006 > 6 > 0 > 1.43e-02 g/l > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,21Z)-26-[(1E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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 > T3D3018 > Rifapentine > 61379-65-5 > 3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin; Cyclopentyl rifampin; Cyclopentylrifampicin; Priftin > Organic Compound; Amine; Hydrazine; Ether; Amide; Ester; Drug; Antimycobacterial; Leprostatic Agent; Antibiotic, Antitubercular; Metabolite; Synthetic Compound $$$$