Marvin 10031212292D 72 75 0 0 1 0 999 V2000 15.8639 -6.1391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1591 -6.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4450 -5.3079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1497 -4.9014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8641 -5.3141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5785 -4.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1500 -4.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7256 -4.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -4.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4315 -3.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0127 -3.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 -2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2886 -4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4886 -7.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4886 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7740 -7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7740 -9.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0596 -7.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0596 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9175 -7.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9175 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2030 -7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3465 -7.8822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3465 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 -7.4697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0610 -9.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0610 -9.9447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3465 -10.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6321 -9.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9177 -10.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2032 -9.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4887 -10.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7741 -9.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0597 -10.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7755 -10.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4890 -11.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 -6.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5225 -6.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4448 -6.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7524 -6.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3450 -9.1197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6306 -8.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3450 -9.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0610 -7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7754 -7.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7747 -11.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0606 -12.0085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0612 -12.8377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3471 -13.2509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6322 -12.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6316 -12.0097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3457 -11.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 -11.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 -13.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4663 -12.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3477 -14.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 -13.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -12.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 -13.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2282 -12.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5280 -14.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8139 -14.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 -14.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -12.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8146 -15.3158 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 -14.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -12.8395 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 -12.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 -14.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9570 -14.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7755 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 39 1 0 0 0 0 39 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 6 0 0 0 4 7 1 6 0 0 0 3 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 16 14 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 19 18 1 0 0 0 0 22 20 2 0 0 0 0 14 22 1 0 0 0 0 15 14 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 20 25 1 0 0 0 0 21 20 1 0 0 0 0 27 26 1 0 0 0 0 24 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 33 17 1 0 0 0 0 33 32 1 0 0 0 0 33 34 2 0 0 0 0 27 35 1 1 0 0 0 32 36 1 0 0 0 0 1 37 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 25 37 1 6 0 0 0 19 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 1 0 0 0 23 44 1 1 0 0 0 44 45 1 0 0 0 0 36 46 1 0 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 47 52 1 0 0 0 0 51 53 1 1 0 0 0 48 54 1 1 0 0 0 54 55 1 0 0 0 0 49 56 1 1 0 0 0 50 57 1 6 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 59 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 59 65 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 61 70 1 0 0 0 0 70 71 1 0 0 0 0 26 72 1 0 0 0 0 M END > CHEBI:68590 > fidaxomicin > An 18-membered macrolide that is a fermentation product obtained from the Actinomycete Dactylosporangium aurantiacum. A narrow spectrum antibiotic used for treatment of Clostridium difficile-related infections. > 3 > Tiacumicin B; PAR-101; PAR 101; OPT-80; OPT 80; Lipiarmycin; Lipiarmicin > Dificid > C52H74Cl2O18 > 1058.03900 > 1056.42522 > 0 > CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC)\C(=O)OC(C\C=C(C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O > InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34?,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1 > ZVGNESXIJDCBKN-KFGPIHIUSA-N > 873857-62-6 > 12687773 > 873857-62-6 > D09394 > Fidaxomicin > 20509714; 22156854; 22260856; 22284993; 22290948; 22318930; 22321770; 22384450; 22508299; 22523271; 22610025; 22702523; 22708825; 22752858; 22752859; 22752860; 22752861; 22752862; 22752863; 22752865; 22752871; 22865382 $$$$