Mrv0541 02231214492D 61 66 0 0 1 0 999 V2000 15.4059 -12.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4016 -12.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1124 -13.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8314 -12.9268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8357 -12.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1209 -11.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2682 -10.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2646 -10.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5536 -11.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 -12.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8339 -10.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1256 -9.6211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8360 -10.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5488 -9.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1324 -8.7985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8496 -8.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5703 -7.1689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8580 -7.5699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2785 -7.5845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2692 -8.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9923 -7.1861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6967 -7.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0992 -8.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1052 -7.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4082 -7.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3877 -8.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9679 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6630 -10.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3729 -9.6422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1416 -12.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4061 -10.0335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4040 -10.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6890 -11.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6832 -12.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 -12.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1136 -11.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1027 -12.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8067 -8.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6905 -9.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 -10.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 -9.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5787 -6.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 -6.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4187 -8.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1461 -7.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 -7.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9816 -8.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -7.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9742 -8.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5413 -8.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1284 -7.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6771 -8.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6987 -10.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9807 -11.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9766 -12.0892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4126 -11.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5465 -13.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2657 -12.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9806 -13.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2700 -12.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8306 -9.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 29 1 0 0 0 0 29 26 1 0 0 0 0 5 6 1 0 0 0 0 10 30 2 0 0 0 0 6 1 1 0 0 0 0 32 31 1 0 0 0 0 9 8 1 0 0 0 0 7 14 1 0 0 0 0 13 14 2 0 0 0 0 16 15 1 0 0 0 0 15 12 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 34 35 1 0 0 0 0 35 10 1 0 0 0 0 35 37 1 6 0 0 0 1 2 1 0 0 0 0 23 38 1 0 0 0 0 7 8 2 0 0 0 0 31 39 1 6 0 0 0 19 17 1 0 0 0 0 39 40 1 0 0 0 0 17 18 1 0 0 0 0 12 41 1 6 0 0 0 18 45 1 6 0 0 0 18 16 1 0 0 0 0 17 42 1 6 0 0 0 8 54 1 0 0 0 0 21 43 1 1 0 0 0 53 28 2 0 0 0 0 15 44 1 1 0 0 0 27 7 1 0 0 0 0 19 20 1 6 0 0 0 44 46 1 0 0 0 0 22 21 1 0 0 0 0 46 47 1 0 0 0 0 21 19 1 0 0 0 0 46 48 2 0 0 0 0 2 3 1 0 0 0 0 27 49 2 0 0 0 0 3 4 1 0 0 0 0 14 50 1 0 0 0 0 9 11 2 0 0 0 0 16 51 1 1 0 0 0 10 9 1 0 0 0 0 26 52 2 0 0 0 0 26 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 22 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 1 56 1 0 0 0 0 56 53 1 0 0 0 0 55 1 1 0 0 0 0 4 5 1 0 0 0 0 4 57 1 0 0 0 0 36 11 1 0 0 0 0 57 58 1 0 0 0 0 11 13 1 0 0 0 0 58 59 1 0 0 0 0 12 31 1 0 0 0 0 58 60 1 0 0 0 0 27 28 1 0 0 0 0 13 61 1 0 0 0 0 M END > DB00615 > drugbank > CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21 > InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 > ATEBXHFBFRCZMA-VXTBVIBXSA-N > C46H62N4O11 > 847.0047 > 846.441508846 > 13 > 123 > 0.45417074821564646 > 89.98696445581061 > 0 > 5 > 0 > 0 > (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidin]-1(31),2,4,9,19,21,25,29-octaen-13-yl acetate > 4.25 > 3.655127836738385 > -4.70 > 0 > 0 > 6 > 0 > 12.632810802868086 > 6.93345746166456 > 9.027073223056215 > 205.54999999999998 > 232.6445000000001 > 5 > 0 > 1.70e-02 g/l > biotin > 0 > DB00615 > APRD00094 > approved; investigational > Rifabutin > 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV; 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; 4-N-isobutylspiropiperidylrifamycin S; Ansamicin; Ansamycin; Rifabutin; Rifabutina; Rifabutine; Rifabutinum > Mycobutin; Rifabutin; Talicia > Ansatipin; Ansatipine; Ributin $$$$