Ketcher 07301514282D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 13.9378 -13.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -13.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9378 -12.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8435 -13.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9335 -14.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 -13.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 -14.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -11.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8729 -11.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6833 -14.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9726 -14.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4948 -13.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2066 -14.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5973 -14.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2218 -15.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2109 -11.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 -10.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4948 -12.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 -13.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3458 -15.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6794 -12.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8031 -13.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6751 -11.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8129 -14.4215 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3017 -12.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 -14.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -15.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 -16.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8386 -17.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7145 -17.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 -15.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 -16.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -10.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -9.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4797 -10.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2066 -15.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 8 1 0 0 0 3 9 1 6 0 0 4 10 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 6 14 1 6 0 0 7 15 2 0 0 0 8 16 1 0 0 0 8 17 1 1 0 0 12 18 1 0 0 0 12 19 1 6 0 0 13 20 1 1 0 0 19 21 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 22 24 1 0 0 0 7 10 1 0 0 0 11 13 1 0 0 0 16 18 1 0 0 0 2 25 1 6 0 0 24 26 1 0 0 0 1 2 1 0 0 0 26 27 1 0 0 0 1 3 1 0 0 0 27 28 1 0 0 0 1 4 1 0 0 0 28 29 1 0 0 0 1 5 1 1 0 0 29 30 1 0 0 0 2 6 1 0 0 0 28 31 1 0 0 0 2 7 1 0 0 0 31 32 1 0 0 0 33 34 2 0 0 0 33 16 1 0 0 0 16 35 1 6 0 0 11 5 1 0 0 0 13 36 1 6 0 0 M END > CHEBI:44137 > tiamulin > A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae. > 3 > CHEBI:29695 > (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate > tiamulinum; tiamuline; tiamulina; tiamulin > C28H47NO4S > 493.74200 > 493.32258 > 0 > CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3 > InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 > UURAUHCOJAIIRQ-QGLSALSOSA-N > 55297-95-5 > 7348837 > 55297-95-5 > C12065 > D06127 > MUL > Tiamulin > 15013817; 16253666; 25592328; 3170319; 3686511 $$$$