Mrv1909 03042003332D 61 64 0 0 0 0 999 V2000 -0.1601 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 0.4468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5306 1.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1822 1.6690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1822 2.4856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8998 2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 2.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 2.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 3.7049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2395 4.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 3.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 2.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 2.4870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6391 1.7327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3753 1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 0.4930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6656 0.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 1.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2395 4.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 4.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -0.0381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2468 -0.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 -1.2768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9348 -1.6693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9348 -2.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 -2.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4712 -2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 -2.8953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2706 -3.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4546 -4.1883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2106 -3.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -4.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 -4.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -4.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 -4.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -2.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 -2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -1.2578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6681 -0.4242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3032 -0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -1.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -2.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 -1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 0.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 1.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 2.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -2.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -1.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 7 6 1 0 0 0 0 7 8 2 0 0 0 0 9 5 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 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 19 18 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 21 19 2 0 0 0 0 17 22 1 6 0 0 0 11 23 2 0 0 0 0 10 24 1 6 0 0 0 4 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 35 37 1 1 0 0 0 35 38 1 6 0 0 0 34 39 1 1 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 40 44 2 0 0 0 0 33 45 1 6 0 0 0 31 46 1 6 0 0 0 29 47 1 0 0 0 0 47 48 1 0 0 0 0 26 48 1 0 0 0 0 48 49 1 6 0 0 0 47 50 1 1 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 28 53 1 1 0 0 0 26 54 1 6 0 0 0 3 55 1 6 0 0 0 55 56 1 0 0 0 0 42 57 1 0 0 0 0 1 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 14 61 1 1 0 0 0 15 61 1 1 0 0 0 M END > DB11383 > drugbank > [H][C@@]1(C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@@H]3O[C@H]3C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C > InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1 > FQVHOULQCKDUCY-OGHXVOSASA-N > C42H67NO16 > 841.9785 > 841.445985101 > 14 > 126 > 0.9641497364037297 > 87.68619907307121 > 0 > 2 > 0 > 0 > (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate > 2.79 > 2.950844613666668 > -3.86 > 1 > 1 > 4 > 1 > 13.823324047371955 > 12.710026271989351 > 8.429678711285584 > 215.42 > 208.44570000000007 > 14 > 0 > 1.15e-01 g/l > 4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid > 0 > DB11383 > vet_approved > Carbomycin > Carbomicina; Carbomycin; Carbomycin A; Carbomycine; Carbomycinum; Magnamycin; Magnamycin A $$$$