Mrv1909 11272104082D 113114 0 0 1 0 999 V2000 4.6728 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 -1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 -7.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9308 -8.0707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4009 -7.7949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4009 -7.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -6.9751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4608 -7.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -6.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -8.0707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -8.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -7.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -8.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -8.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9766 -7.8026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9766 -6.9673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6991 -6.5440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4177 -6.9673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1481 -6.5440 0.0000 C 0 0 0 0 0 0 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-5.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 -7.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 -5.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -5.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7550 -5.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -5.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2850 -6.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2433 -6.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 -5.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -5.1803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7550 -4.9045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2290 -5.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -4.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 -4.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -6.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -7.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 2.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 -0.6956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7871 -0.9714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3170 -0.6956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3170 -0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 0.1240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2571 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -0.9714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 -1.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 -1.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 -0.7033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6946 0.1319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4171 0.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1358 0.1319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8662 0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5888 0.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2453 0.6563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0572 0.4659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8924 0.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4768 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4185 -0.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0493 -1.0452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2297 -1.2239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 -1.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1358 -0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 -1.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6984 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1396 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 -1.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6476 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2616 -0.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6221 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 1.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 1.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4731 1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 1.3787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0030 0.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 1.9188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4731 2.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9471 1.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4731 2.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 2.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 -0.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 1.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 8 10 1 6 0 0 0 6 11 1 6 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 5 14 1 1 0 0 0 15 4 1 0 0 0 0 16 15 1 1 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 1 0 0 0 26 23 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 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 16 1 0 0 0 0 32 33 1 6 0 0 0 32 34 1 1 0 0 0 30 35 1 1 0 0 0 36 28 1 0 0 0 0 27 37 1 6 0 0 0 26 38 1 1 0 0 0 22 39 1 1 0 0 0 40 39 1 0 0 0 0 41 20 2 0 0 0 0 19 42 1 1 0 0 0 18 43 1 1 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 46 47 1 6 0 0 0 48 47 1 0 0 0 0 46 49 1 1 0 0 0 50 46 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 44 1 0 0 0 0 51 53 1 1 0 0 0 50 54 1 6 0 0 0 44 55 1 1 0 0 0 17 56 1 6 0 0 0 4 57 1 1 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 63 65 1 6 0 0 0 61 66 1 6 0 0 0 67 66 1 0 0 0 0 68 66 1 0 0 0 0 60 69 1 1 0 0 0 70 59 1 0 0 0 0 71 70 1 1 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 78 79 1 6 0 0 0 78 80 1 1 0 0 0 81 78 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 71 1 0 0 0 0 87 88 1 6 0 0 0 87 89 1 1 0 0 0 85 90 1 1 0 0 0 91 83 1 0 0 0 0 82 92 1 6 0 0 0 81 93 1 1 0 0 0 77 94 1 1 0 0 0 95 94 1 0 0 0 0 96 75 2 0 0 0 0 74 97 1 1 0 0 0 73 98 1 1 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 1 0 0 0 0 101102 1 6 0 0 0 103102 1 0 0 0 0 101104 1 1 0 0 0 105101 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107 99 1 0 0 0 0 106108 1 1 0 0 0 105109 1 6 0 0 0 99110 1 1 0 0 0 72111 1 6 0 0 0 59112 1 1 0 0 0 M END > DBSALT003207 > drugbank > O.O.CCO.[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[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@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C.[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[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@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C > InChI=1S/2C38H72N2O12.C2H6O.2H2O/c2*1-15-27-38(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;1-2-3;;/h2*20-33,35,41-43,45-46H,15-19H2,1-14H3;3H,2H2,1H3;2*1H2/t2*20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;;/m11.../s1 > FEWUYCASOAUDHD-LCPFZDPDSA-N > C78H154N4O27 > 1580.091 > 1579.080045715 > 13 > 263 > 2.0014016361179015 > 82.83998329710701 > 0 > 5 > 0 > 0 > bis((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one) ethanol dihydrate > 3.03 > 2.4447815993333313 > -3.16 > 1 > 2 > 6 > 2 > 12.89815406880848 > 12.428323628576404 > 9.569664875084948 > 180.07999999999998 > 194.10820000000004 > 14 > 0 > 5.14e-01 g/l > bis(azithromycin) ethyl alcohol dihydrate > 0 > DBSALT003207 > Azithromycin hemiethanolate monohydrate > DB00207 > Azithromycin > 554432-19-8 > S548K9P0TK $$$$