Mrv1909 08272118372D 110115 0 0 0 0 999 V2000 -8.9203 -1.6392 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.9203 -0.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6347 -2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2059 -2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9203 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 2.7619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2844 3.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8763 2.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2375 2.3393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8294 3.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0585 2.3393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9233 1.6300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1152 3.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3313 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 1.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4764 3.0535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6374 3.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8763 4.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2375 3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 4.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 0.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0585 3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 0.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4764 1.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8196 1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2844 2.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2844 4.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8067 3.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2052 3.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9847 2.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1621 0.9158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2052 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2974 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 1.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1152 2.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 0.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 2.7619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2689 3.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6817 2.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3206 2.3393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7287 3.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4897 2.3393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6301 1.6300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4429 3.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2219 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4511 1.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 3.0535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9207 3.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6817 4.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3206 3.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 4.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8689 0.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4897 3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2121 0.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0817 1.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4511 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 2.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 4.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 3.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5734 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 3.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 0.9158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5734 2.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2509 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2974 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 1.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5734 0.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -2.3539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5126 -1.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0947 -2.3539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4559 -2.7765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0478 -2.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2819 -2.7765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3336 -1.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8485 -3.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7046 -2.0624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1441 -1.6397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0947 -0.9254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6792 -3.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -4.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6948 -3.4907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -3.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -3.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8485 -4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -1.6397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -0.2113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 -4.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4188 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 -4.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 -4.1757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -3.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -3.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -2.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8016 -4.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 -3.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 16 32 1 1 0 0 0 23 34 1 1 0 0 0 35 16 1 0 0 0 0 36 24 1 0 0 0 0 37 33 1 0 0 0 0 38 31 1 0 0 0 0 6 39 1 6 0 0 0 10 40 1 1 0 0 0 21 41 1 1 0 0 0 7 18 1 0 0 0 0 26 25 1 0 0 0 0 11 16 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 11 9 1 0 0 0 0 12 14 1 1 0 0 0 7 13 1 1 0 0 0 14 6 1 0 0 0 0 15 12 1 0 0 0 0 16 22 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 10 1 0 0 0 0 20 17 1 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 12 1 0 0 0 0 11 24 1 1 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 9 27 1 6 0 0 0 8 28 1 6 0 0 0 18 29 1 6 0 0 0 17 30 1 6 0 0 0 31 21 1 0 0 0 0 31 33 1 0 0 0 0 43 44 1 0 0 0 0 44 42 1 0 0 0 0 45 46 1 0 0 0 0 46 49 1 0 0 0 0 47 45 1 0 0 0 0 48 50 1 1 0 0 0 43 49 1 1 0 0 0 50 42 1 0 0 0 0 51 48 1 0 0 0 0 52 58 1 0 0 0 0 53 42 1 0 0 0 0 54 56 1 0 0 0 0 55 46 1 0 0 0 0 56 53 1 0 0 0 0 57 51 1 0 0 0 0 58 55 1 0 0 0 0 59 48 1 0 0 0 0 47 60 1 1 0 0 0 61 62 1 0 0 0 0 62 59 1 0 0 0 0 45 63 1 6 0 0 0 44 64 1 6 0 0 0 54 65 1 6 0 0 0 53 66 1 6 0 0 0 67 57 1 0 0 0 0 52 68 1 1 0 0 0 59 69 1 1 0 0 0 71 52 1 0 0 0 0 72 60 1 0 0 0 0 73 67 1 0 0 0 0 46 74 1 1 0 0 0 42 75 1 6 0 0 0 57 76 1 1 0 0 0 54 43 1 0 0 0 0 61 57 1 0 0 0 0 47 52 1 0 0 0 0 67 70 1 0 0 0 0 78 79 1 0 0 0 0 79 77 1 0 0 0 0 80 81 1 0 0 0 0 81 83 1 0 0 0 0 82 80 1 0 0 0 0 78 83 1 1 0 0 0 84 77 1 0 0 0 0 85 84 1 1 0 0 0 86 92 1 0 0 0 0 87 77 1 0 0 0 0 88 91 1 0 0 0 0 89 85 1 0 0 0 0 90 81 1 0 0 0 0 91 87 1 0 0 0 0 92 90 1 0 0 0 0 93 85 1 0 0 0 0 82 94 1 1 0 0 0 80 95 1 6 0 0 0 79 96 1 6 0 0 0 97 93 1 0 0 0 0 87 98 1 6 0 0 0 88 99 1 6 0 0 0 100 89 1 0 0 0 0 86101 1 1 0 0 0 93102 1 1 0 0 0 103 97 1 0 0 0 0 104106 1 0 0 0 0 105 86 1 0 0 0 0 106100 1 0 0 0 0 107 94 1 0 0 0 0 81108 1 1 0 0 0 100109 1 1 0 0 0 77110 1 6 0 0 0 88 78 1 0 0 0 0 103100 1 0 0 0 0 82 86 1 0 0 0 0 M END > DBSALT000690 > drugbank > OS(O)(=O)=O.[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC > InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-;/m110./s1 > RDEIXVOBVLKYNT-VQBXQJRRSA-N > C60H125N15O25S > 1488.8 > 1487.869175759 > 12 > 226 > 4.756248197848221 > 51.5229486669376 > 0 > 8 > 0 > 0 > (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid > -1.64 > -3.1371555293333344 > -1.58 > 1 > 5 > 9 > 5 > 13.159351800949633 > 12.548968233242588 > 10.117199750062865 > 199.73000000000002 > 118.02069999999998 > 19 > 0 > 1.26e+01 g/l > (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; gentamicin C1A; gentamycin C1 > 0 > DBSALT000690 > Gentamicin sulfate > DB00798 > Gentamicin > 1405-41-0 > 8X7386QRLV $$$$