135459775 CDK 1202211638 58 63 0 0 0 0 0 0 0 0999 V2000 8.3055 -2.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 -1.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 2.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 -3.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 1.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -2.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9390 -0.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8957 2.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 0.2226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -0.4413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 0.8865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 1.5158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -0.3370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7600 -0.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0304 0.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 0.7507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6866 -1.1484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4786 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 -1.4248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7509 -1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.4301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4786 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -2.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4552 -2.8128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9013 1.3642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1131 -2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2294 -0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 1.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 -1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6752 -3.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9520 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9255 -3.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1506 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 1.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 2.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 -3.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 3.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 38 1 0 0 0 0 25 2 1 6 0 0 0 28 3 1 1 0 0 0 33 4 1 1 0 0 0 5 38 1 0 0 0 0 5 52 1 0 0 0 0 6 34 1 0 0 0 0 37 7 1 6 0 0 0 7 56 1 0 0 0 0 8 41 1 0 0 0 0 9 40 2 0 0 0 0 10 53 2 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 22 2 0 0 0 0 14 30 2 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 26 1 0 0 0 0 22 30 1 0 0 0 0 23 29 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 1 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 33 1 0 0 0 0 27 44 1 6 0 0 0 28 31 1 0 0 0 0 29 34 2 0 0 0 0 29 41 1 0 0 0 0 30 34 1 0 0 0 0 31 37 1 0 0 0 0 31 46 1 6 0 0 0 32 35 2 0 0 0 0 32 40 1 0 0 0 0 33 39 1 0 0 0 0 35 45 1 0 0 0 0 37 47 1 0 0 0 0 38 40 1 0 0 0 0 38 48 1 1 0 0 0 39 49 1 6 0 0 0 39 50 1 0 0 0 0 41 45 2 0 0 0 0 45 51 1 0 0 0 0 47 52 2 0 0 0 0 50 54 2 0 0 0 0 53 55 1 0 0 0 0 54 57 1 0 0 0 0 55 57 2 0 0 0 0 55 58 1 0 0 0 0 M END > CHEBI:186416 > 25-O-Deacetylrifabutin > 2 > (7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-2,13,15,17,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-6,23-dione > C44H60N4O10 > 804.982 > 804.43094 > 0 > O1C2=C3C4=C5NC6(N=C5C(=NC(=O)C(=CC=C[C@@H]([C@H](O)[C@H]([C@@H](O)[C@H]([C@H](O)[C@@H]([C@@H](OC)C=CO[C@@]1(C3=O)C)C)C)C)C)C)C(O)=C4C(O)=C2C)CCN(CC6)CC(C)C > InChI=1S/C44H60N4O10/c1-21(2)20-48-17-15-44(16-18-48)46-32-29-30-38(52)27(8)40-31(29)41(54)43(9,58-40)57-19-14-28(56-10)24(5)36(50)26(7)37(51)25(6)35(49)22(3)12-11-13-23(4)42(55)45-34(39(30)53)33(32)47-44/h11-14,19,21-22,24-26,28,35-37,46,49-53H,15-18,20H2,1-10H3/b12-11+,19-14+,23-13-,45-34-/t22-,24+,25+,26-,28-,35-,36+,37+,43-/m0/s1 > RZEXSKXQNAZHMZ-XSHZESCNSA-N $$$$