Marvin 05260614582D 61 66 0 0 1 0 999 V2000 15.4057 -12.0928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4014 -12.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1121 -13.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8312 -12.9266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8355 -12.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1206 -11.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 -10.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2644 -10.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5535 -11.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5543 -12.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8337 -10.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 -9.6209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8358 -10.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5487 -9.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1322 -8.7984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8494 -8.3951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5702 -7.1688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8578 -7.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2783 -7.5844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2690 -8.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9921 -7.1860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6965 -7.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0989 -8.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1049 -7.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4080 -7.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3875 -8.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9677 -9.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6628 -10.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3727 -9.6420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1414 -12.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 -10.0334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4039 -10.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6888 -11.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -12.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1076 -12.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1134 -11.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1025 -12.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8065 -8.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6903 -9.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9761 -10.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4045 -9.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5786 -6.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0014 -6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4186 -8.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1459 -7.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -7.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9815 -8.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 -7.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9740 -8.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5412 -8.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1282 -7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6769 -8.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6985 -10.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9805 -11.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9764 -12.0890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4124 -11.2710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5462 -13.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2654 -12.9340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.9803 -13.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2697 -12.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 -9.1898 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 > CHEBI:45367 > rifabutin > 3 > CHEBI:45364; CHEBI:8857 > Rifabutin; Rifabutin; Mycobutin (TN); 4-N-isobutylspiropiperidylrifamycin S; 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV > C46H62N4O11 > 847.00484 > 846.44151 > 0 > CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=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)=C1NC5(CCN(CC5)CC(C)C)N=C1c4c3C2=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-VXTBVIBXSA-N > 72559-06-9 > 72559-06-9 > DB00615 > C07235 > D00424 > C00027872 > Rifabutin $$$$