70680273 -OEChem-03292411412D 57 58 0 1 0 0 0 0 0999 V2000 3.4030 -0.4050 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -1.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 17 2 1 6 0 0 0 19 2 1 1 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 20 5 1 1 0 0 0 5 48 1 0 0 0 0 21 6 1 1 0 0 0 6 49 1 0 0 0 0 22 7 1 6 0 0 0 7 50 1 0 0 0 0 8 26 1 0 0 0 0 8 51 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 52 1 0 0 0 0 11 29 2 0 0 0 0 12 56 1 0 0 0 0 13 57 1 0 0 0 0 18 15 1 6 0 0 0 15 29 1 0 0 0 0 15 41 1 0 0 0 0 25 16 1 6 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 25 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 28 1 1 0 0 0 23 37 1 0 0 0 0 24 27 1 1 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > 70680273 > 1 > 635 > 14 > 9 > 7 > AAADceBzPAIAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCCAACDzxgAcCCALABxAIQAEQEIAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate > [(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-2-oxanyl]methyl dihydrogen phosphate > [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate > [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate > [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-azanyl-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate > [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate > InChI=1S/C14H27N2O13P/c1-4(18)16-8-11(21)9(19)6(3-26-30(23,24)25)28-14(8)29-12-5(2-17)27-13(22)7(15)10(12)20/h5-14,17,19-22H,2-3,15H2,1H3,(H,16,18)(H2,23,24,25)/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1 > YSOAJKLNVFWXBW-UEVOBBHASA-N > -8.9 > 462.12507592 > C14H27N2O13P > 462.34 > CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)O)CO)COP(=O)(O)O)O)O > CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)N)O)CO)COP(=O)(O)O)O)O > 251 > 462.12507592 > 0 > 30 > 9 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 15 6 25 16 6 17 2 6 19 2 5 23 28 5 24 27 5 20 5 5 21 6 5 22 7 6 26 8 3 $$$$