Mrv1652312081619462D 60 63 0 0 1 0 999 V2000 3.0980 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 -0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6119 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 -1.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -1.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -2.3864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2392 -2.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 -2.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 -2.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9232 -2.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 -2.2674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8311 -1.6462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4467 -0.8563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3024 -0.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3789 0.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6680 1.5769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1485 2.2535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7874 2.7825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5405 3.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 3.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2857 1.8778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6568 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 1.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4555 -0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8688 -1.1226 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7172 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1489 0.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9736 0.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4053 1.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6230 0.9194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3666 0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4477 0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 3.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 3.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 2.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0613 1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 0.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 -1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -2.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -2.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -2.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8628 -2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -3.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 -2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2822 -1.8366 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 4 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 5 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 38 43 1 0 0 0 0 41 44 1 0 0 0 0 26 45 1 0 0 0 0 22 46 1 1 0 0 0 21 47 1 1 0 0 0 20 48 1 6 0 0 0 19 49 1 6 0 0 0 18 50 1 6 0 0 0 17 51 1 1 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 16 55 1 1 0 0 0 15 56 1 6 0 0 0 56 57 1 0 0 0 0 9 58 1 6 0 0 0 3 59 1 0 0 0 0 M CHG 2 35 -1 60 1 M END > DBSALT001014 > drugbank > [Na+].CO[C@H]1\C=C/O[C@@]2(C)OC3=C(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)C(\C=N\N1CCN(C)CC1)=C([O-])C4=C3C2=O > InChI=1S/C43H58N4O12.Na/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55);/q;+1/p-1/b12-11-,19-14-,22-13-,44-20+;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;/m0./s1 > PPGHYTPFGILTSZ-LGIBZRBQSA-M > C43H57N4NaO12 > 844.935 > 844.38706757 > 14 > 117 > 87.26641871935533 > 0 > 5 > 0 > 0 > sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-(acetyloxy)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(1E)-[(4-methylpiperazin-1-yl)imino]methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-27-olate > 4.15 > 2.9473775286109625 > -4.28 > 0 > 5 > 0 > 8.21156283710721 > 6.7977228614850675 > 7.370922245250946 > 222.97999999999993 > 236.13310000000007 > 5 > 0 > 4.47e-02 g/l > sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-(acetyloxy)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(1E)-[(4-methylpiperazin-1-yl)imino]methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-27-olate > 0 > DBSALT001014 > Rifampicin sodium > DB01045 > Rifampicin > 38776-75-9 > GPE7477YEK $$$$