Mrv0541 08221314512D 66 68 0 0 1 0 999 V2000 -0.0838 -3.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 1.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 -2.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -3.1078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4011 -2.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3364 2.2415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5270 -2.0316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4744 0.5191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9075 3.0665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8559 -0.5242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2398 -2.3541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3364 3.0665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0119 -1.3641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6220 3.4790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6764 -0.6105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8605 0.5191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0656 -1.7729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1930 1.0040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7549 -1.6866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9075 2.2415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3710 -1.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6055 -0.2655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7654 2.2415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -3.7752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 -2.6128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 3.4790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 0.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3777 -3.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 3.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -1.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 4.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1613 0.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6451 0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 -1.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -1.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 -3.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7367 -3.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 2.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 -1.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 1.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 3.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -3.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 2.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 4.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 0.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 1.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 -1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 -1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 2.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 -0.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 1 0 0 0 8 3 1 1 0 0 0 9 4 1 1 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 15 13 1 0 0 0 0 16 11 1 0 0 0 0 16 14 1 0 0 0 0 18 6 1 0 0 0 0 19 9 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 20 18 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 17 1 0 0 0 0 24 2 1 0 0 0 0 5 25 1 1 0 0 0 6 26 1 1 0 0 0 10 27 1 1 0 0 0 11 28 1 6 0 0 0 29 3 1 0 0 0 0 30 4 1 0 0 0 0 12 31 1 6 0 0 0 13 32 1 1 0 0 0 14 33 1 6 0 0 0 15 34 1 6 0 0 0 16 35 1 1 0 0 0 17 36 1 6 0 0 0 37 7 1 0 0 0 0 37 21 1 0 0 0 0 38 8 1 0 0 0 0 38 22 1 0 0 0 0 39 9 1 0 0 0 0 39 23 1 0 0 0 0 18 40 1 6 0 0 0 22 40 1 6 0 0 0 19 41 1 6 0 0 0 21 41 1 1 0 0 0 20 42 1 1 0 0 0 23 42 1 1 0 0 0 47 43 1 0 0 0 0 47 44 1 0 0 0 0 47 45 2 0 0 0 0 47 46 2 0 0 0 0 5 48 1 6 0 0 0 6 49 1 6 0 0 0 7 50 1 6 0 0 0 8 51 1 6 0 0 0 9 52 1 6 0 0 0 10 53 1 6 0 0 0 11 54 1 1 0 0 0 12 55 1 1 0 0 0 13 56 1 6 0 0 0 14 57 1 1 0 0 0 15 58 1 1 0 0 0 16 59 1 6 0 0 0 17 60 1 1 0 0 0 18 61 1 1 0 0 0 19 62 1 1 0 0 0 20 63 1 6 0 0 0 21 64 1 6 0 0 0 22 65 1 1 0 0 0 23 66 1 6 0 0 0 M END > CHEM019637 > chemdb > OS(O)(=O)=O.[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(O)[C@]([H])(N)C[C@]([H])(N)[C@@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N)[C@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@@]([H])(CN)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N > InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1 > LJRDOKAZOAKLDU-UDXJMMFXSA-N > C23H47N5O18S > 713.707 > 713.263680415 > 19 > 60.888678688430275 > 0 > 13 > 0 > 0 > (2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol; sulfuric acid > -2.92 > -8.308295949333333 > -0.89 > 1 > 4 > 5 > 12.902517812527407 > 12.227454691752135 > 9.938207381101218 > 347.32000000000005 > 134.24279999999996 > 9 > 0 > 7.97e+01 g/l > (2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol; sulfuric acid > 0 > Paromomycin sulfate > 1263-89-4 > Paromomycin > Human Neurotoxin $$$$