16757731 -OEChem-04182411342D 75 76 0 1 0 0 0 0 0999 V2000 10.0240 5.9520 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 9.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 9.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 6.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 5.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 6.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 5.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 6.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 4.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 10.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 6.8671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4860 5.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4860 6.3671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2181 6.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3520 4.8671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2181 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 8.3671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 9.8671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4860 9.3671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7540 9.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7540 8.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2540 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6200 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 4.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 5.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 7.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 10.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 9.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 8.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 7.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 6.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 7.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 4.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 6.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 10.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 10.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 11.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 9.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 8.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 10.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 11.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 11.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 5.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4270 6.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 5.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 18 2 1 6 0 0 0 2 24 1 0 0 0 0 19 3 1 6 0 0 0 3 29 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 20 1 0 0 0 0 5 54 1 0 0 0 0 6 26 1 0 0 0 0 6 60 1 0 0 0 0 27 7 1 6 0 0 0 7 61 1 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 9 74 1 0 0 0 0 10 75 1 0 0 0 0 21 13 1 1 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 22 14 1 1 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 25 1 0 0 0 0 15 33 1 0 0 0 0 15 58 1 0 0 0 0 16 31 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 17 36 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 67 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 M END > 16757731 > 1 > 724 > 16 > 10 > 6 > AAADcfB7vABAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABoCAACBCADCACAAgIAAACIAIAAgTEAIAwQAnQAAHkAAfAAPwcA0MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (5R)-2-[(1R,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;sulfuric acid > (5R)-2-[(1R,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (5R)-2-[(1R,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (5R)-2-[(1R,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (5R)-2-[(1R,3S,4R,6S)-3-[[6-(aminomethyl)-3-azanyl-3,4-dihydro-2H-pyran-2-yl]oxy]-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (5R)-2-[(1R,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;sulfuric acid > InChI=1S/C19H37N5O7.H2O4S/c1-19(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/h3,9-18,24-27H,4-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9?,10-,11+,12?,13?,14+,15-,16?,17?,18?,19+;/m1./s1 > JVTNJDPXUPRGIE-NTBURBFFSA-N > 545.23667825 > C19H39N5O11S > 545.6 > CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O > C[C@@]1(COC(C(C1NC)O)O[C@@H]2[C@H](C[C@H]([C@@H](C2O)OC3C(CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O > 297 > 545.23667825 > 0 > 36 > 5 > 6 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 13 5 22 14 5 25 15 3 31 16 3 18 2 6 24 2 3 19 3 6 29 3 3 20 5 3 26 6 3 27 7 6 $$$$