Mrv1652307191923542D 74 79 0 0 1 0 999 V2000 10.0063 0.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 3.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1964 -1.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 -2.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -3.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 -3.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 3.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3309 3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -2.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 -0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6091 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6302 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2073 0.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 2.4971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1436 3.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -2.0223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0838 1.1444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0497 -0.4992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6183 -1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -2.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -2.5574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3997 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2882 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 1.8825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0915 0.3319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8566 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -1.3030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8028 -1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -2.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2331 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 2.2224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5976 -0.0491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.2439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8312 0.0671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 2.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6604 -0.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 -0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 3.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9296 -3.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -2.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 -1.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -2.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 4.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 4.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 -3.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 -3.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -1.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 0.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 -0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 -1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 1.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 0.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 15 2 0 0 0 0 22 1 1 0 0 0 0 22 2 1 0 0 0 0 22 21 1 0 0 0 0 23 3 1 6 0 0 0 23 13 1 0 0 0 0 24 4 1 0 0 0 0 24 14 2 0 0 0 0 25 5 1 6 0 0 0 26 6 1 1 0 0 0 27 7 1 1 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 15 1 0 0 0 0 30 25 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 34 31 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 37 23 1 0 0 0 0 37 26 1 0 0 0 0 38 26 1 0 0 0 0 38 27 1 0 0 0 0 39 28 2 0 0 0 0 39 32 1 0 0 0 0 40 32 1 0 0 0 0 40 36 1 0 0 0 0 41 25 1 0 0 0 0 41 27 1 0 0 0 0 42 28 1 0 0 0 0 42 33 2 0 0 0 0 43 33 1 0 0 0 0 44 24 1 0 0 0 0 45 10 1 1 0 0 0 45 43 1 0 0 0 0 46 16 1 0 0 0 0 46 17 1 0 0 0 0 47 36 1 4 0 0 0 47 44 2 0 0 0 0 48 34 2 0 0 0 0 48 46 1 0 0 0 0 49 35 1 0 0 0 0 49 46 1 0 0 0 0 50 18 1 0 0 0 0 50 19 1 0 0 0 0 50 21 1 0 0 0 0 51 29 2 0 0 0 0 37 52 1 6 0 0 0 38 53 1 1 0 0 0 54 39 1 0 0 0 0 55 40 2 0 0 0 0 56 43 2 0 0 0 0 57 44 1 0 0 0 0 58 11 1 0 0 0 0 30 58 1 1 0 0 0 59 20 1 0 0 0 0 59 45 1 0 0 0 0 60 29 1 0 0 0 0 41 60 1 6 0 0 0 61 42 1 0 0 0 0 61 45 1 0 0 0 0 62 12 1 0 0 0 0 63 13 1 0 0 0 0 64 14 1 0 0 0 0 65 15 1 0 0 0 0 66 20 1 0 0 0 0 23 67 1 6 0 0 0 25 68 1 6 0 0 0 26 69 1 1 0 0 0 27 70 1 1 0 0 0 30 71 1 1 0 0 0 37 72 1 6 0 0 0 38 73 1 1 0 0 0 41 74 1 6 0 0 0 M END > T3D2838 > t3db > [H]\C1=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)=NC2=C3NC4(CCN(CC(C)C)CC4)N=C3C3=C(C(O)=C(C)C4=C3C(=O)[C@](C)(O4)O1)C2=O > 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-DVAZEERGSA-N > C46H62N4O11 > 847.0047 > 846.441508846 > 14 > 123 > 91.09717712030051 > 0 > 5 > 0 > 0 > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidine]-1(31),2,4,9,19,21,23,25,29-nonaen-13-yl acetate > 4.31 > 3.442909494597126 > -4.97 > 0 > 6 > 0 > 7.051491510897855 > 5.287617197394911 > 7.902670437392408 > 209.03999999999996 > 233.16620000000006 > 5 > 0 > 9.14e-03 g/l > (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4'-piperidine]-1(31),2,4,9,19,21,23,25,29-nonaen-13-yl acetate > 0 > T3D2838 > Rifabutin > 72559-06-9 > 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; 4-N-Isobutylspiropiperidylrifamycin S; Ansamicin; Ansamycin; Ansatipin; Ansatipine; Antibiotic LM 427; Mycobutin; RBT; Ributin; Rifabutina; Rifabutine; Rifabutinum > Organic Compound; Amine; Ether; Amide; Ester; Drug; Anti-Bacterial Agent; Antibiotic, Antitubercular; Metabolite; Synthetic Compound $$$$