Marvin 09240816422D 52 54 0 0 0 0 999 V2000 -3.2657 2.7280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6782 2.0135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3554 1.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7679 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 0.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1845 -0.1266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7679 -0.7100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7679 -1.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4823 -1.9475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1968 -1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -0.2975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9113 0.5275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3279 1.1109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2657 3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4751 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 0.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -2.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3876 0.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5585 2.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6258 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -3.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -1.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4508 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -4.0318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7987 -1.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9737 -1.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5612 -2.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 -2.8286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7986 -2.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2112 -2.1141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1856 -4.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -4.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 -5.4608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1855 -5.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5981 -4.7463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3820 -0.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -6.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 -5.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 -3.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 -2.1141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 -4.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -6.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 -4.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -2.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 3 1 0 0 0 0 1 16 1 0 0 0 0 3 17 1 1 0 0 0 15 18 1 1 0 0 0 14 19 1 1 0 0 0 10 20 1 1 0 0 0 6 21 1 1 0 0 0 4 22 1 6 0 0 0 6 23 1 6 0 0 0 14 24 1 6 0 0 0 13 25 1 6 0 0 0 9 26 1 6 0 0 0 7 27 1 6 0 0 0 11 28 2 0 0 0 0 25 29 1 0 0 0 0 32 27 1 1 0 0 0 30 26 1 1 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 37 30 1 0 0 0 0 30 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 37 41 1 0 0 0 0 31 42 1 6 0 0 0 39 43 1 6 0 0 0 41 44 1 6 0 0 0 34 45 1 1 0 0 0 36 46 1 1 0 0 0 41 47 1 1 0 0 0 40 48 1 1 0 0 0 47 49 1 0 0 0 0 46 50 1 0 0 0 0 46 51 1 0 0 0 0 8 52 1 6 0 0 0 M END > CHEBI:2955 > azithromycin > A macrolide antibiotic useful for the treatment of bacterial infections. > 3 > CHEBI:46596 > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one > (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside > azitromicina; azithromycinum; azithromycine > Zmax; Zithromax; Hemomycin; Azitromin; Azimakrol; Azigram; Azifast; Azenil > C38H72N2O12 > 748.98450 > 748.50853 > 0 > CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 > MQTOSJVFKKJCRP-BICOPXKESA-N > 5387583 > 83905-01-5 > 8820027 > 83905-01-5 > DB00207 > C06838 > D07486 > LSM-5821 > ZIT > Azithromycin > 15143799; 18253999 $$$$