Mrv1572004221603172D 75 77 0 0 1 0 999 V2000 9.2881 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0932 10.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5329 7.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 11.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5295 11.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1821 12.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 9.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4315 10.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 9.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0026 12.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4315 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 7.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 10.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0026 8.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7171 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0932 11.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4723 7.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 12.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 11.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 12.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 7.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 10.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 0 0 0 0 16 2 1 0 0 0 0 18 17 1 0 0 0 0 22 3 1 6 0 0 0 22 20 1 0 0 0 0 23 4 1 6 0 0 0 23 19 1 0 0 0 0 24 5 1 1 0 0 0 25 6 1 6 0 0 0 26 7 1 1 0 0 0 27 8 1 1 0 0 0 28 19 1 0 0 0 0 29 15 1 6 0 0 0 30 17 1 0 0 0 0 31 18 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 33 24 1 0 0 0 0 34 25 1 0 0 0 0 34 26 1 0 0 0 0 35 28 1 0 0 0 0 36 24 1 0 0 0 0 37 27 1 0 0 0 0 38 25 1 0 0 0 0 39 26 1 0 0 0 0 40 35 1 0 0 0 0 41 9 1 6 0 0 0 41 20 1 0 0 0 0 41 38 1 0 0 0 0 42 10 1 1 0 0 0 42 21 1 0 0 0 0 42 37 1 0 0 0 0 43 11 1 6 0 0 0 43 29 1 0 0 0 0 43 36 1 0 0 0 0 44 12 1 0 0 0 0 44 13 1 0 0 0 0 28 44 1 6 0 0 0 45 30 2 0 0 0 0 46 31 2 0 0 0 0 47 33 2 0 0 0 0 36 48 1 1 0 0 0 37 49 1 6 0 0 0 50 39 2 0 0 0 0 41 51 1 1 0 0 0 43 52 1 1 0 0 0 53 14 1 0 0 0 0 42 53 1 6 0 0 0 54 16 1 0 0 0 0 54 30 1 0 0 0 0 55 23 1 0 0 0 0 55 40 1 0 0 0 0 56 27 1 0 0 0 0 56 32 1 0 0 0 0 57 29 1 0 0 0 0 57 39 1 0 0 0 0 58 31 1 0 0 0 0 35 58 1 1 0 0 0 32 59 1 6 0 0 0 34 59 1 6 0 0 0 38 60 1 6 0 0 0 40 60 1 1 0 0 0 22 61 1 6 0 0 0 23 62 1 1 0 0 0 24 63 1 6 0 0 0 25 64 1 1 0 0 0 26 65 1 6 0 0 0 27 66 1 6 0 0 0 28 67 1 1 0 0 0 29 68 1 1 0 0 0 32 69 1 1 0 0 0 34 70 1 1 0 0 0 35 71 1 6 0 0 0 36 72 1 6 0 0 0 37 73 1 1 0 0 0 38 74 1 1 0 0 0 40 75 1 1 0 0 0 M END > DBSALT001220 > drugbank > [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(OC(=O)CCC(=O)OCC)[C@]([H])(O[C@]2([H])[C@@]([H])(C)[C@]([H])(O[C@@]3([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O3)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@@](C)(O)[C@]([H])(O)[C@@]([H])(C)C(=O)[C@]([H])(C)C[C@@]2(C)O)O1 > InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 > NSYZCCDSJNWWJL-YXOIYICCSA-N > C43H75NO16 > 862.064 > 861.508585339 > 14 > 135 > 92.61511017435654 > 0 > 4 > 0 > 0 > (2S,3R,4S,6R)-4-(dimethylamino)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl]oxy}-6-methyloxan-3-yl 1-ethyl butanedioate > 2.94 > 3.3650790153333325 > -3.76 > 1 > 3 > 1 > 13.221898721874872 > 12.66394087671058 > 7.86700888399289 > 226.27999999999992 > 215.59960000000007 > 14 > 0 > 1.49e-01 g/l > erythromycin ethylsuccinate > 0 > DBSALT001220 > Erythromycin ethylsuccinate > DB00199 > Erythromycin > 1264-62-6 > 1014KSJ86F $$$$