Mrv0541 05121315392D 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 > DB08874 > drugbank > 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)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[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 > InChIKey=ZVGNESXIJDCBKN-KFGPIHIUSA-N > 15 > 110.46665877056009 > 0 > 7 > 1056.425220978 > 0 > C52H74Cl2O18 > 0 > (2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-6-ethyl-2,4-dihydroxybenzoate > 5.59 > 8.556184696666666 > -4.93 > 1058.039 > 1 > 4 > -1 > 8.551055592969377 > 5.868526907082163 > -1.377229888905922 > 266.65999999999997 > 269.66060000000004 > 15 > 0 > 1.25e-02 g/l > (2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-6-ethyl-2,4-dihydroxybenzoate > 0 > DB08874 > approved > Fidaxomicin > Difimicin ; Lipiarrmycin; OPT-80; PAR-101; Tiacumicin B > Dificid $$$$