70680345 -OEChem-04262419242D 66 67 0 1 0 0 0 0 0999 V2000 6.0010 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 3.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 3.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 5.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 19 1 1 1 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 18 4 1 1 0 0 0 4 28 1 0 0 0 0 20 5 1 1 0 0 0 5 51 1 0 0 0 0 21 6 1 6 0 0 0 6 52 1 0 0 0 0 25 7 1 1 0 0 0 7 54 1 0 0 0 0 8 26 1 0 0 0 0 8 55 1 0 0 0 0 9 27 1 0 0 0 0 9 56 1 0 0 0 0 10 29 2 0 0 0 0 11 30 2 0 0 0 0 12 32 1 0 0 0 0 12 66 1 0 0 0 0 13 32 2 0 0 0 0 16 14 1 6 0 0 0 14 29 1 0 0 0 0 14 45 1 0 0 0 0 24 15 1 6 0 0 0 15 30 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 24 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 26 1 1 0 0 0 22 41 1 0 0 0 0 23 27 1 1 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 53 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > 70680345 > 1 > 724 > 13 > 8 > 9 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAGQGAIAAAAAAAAAAIFIAAATEAIAgAQnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid > 2-[[(2S,3R,4R,5S,6R)-3-acetamido-2-[[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propanoic acid > 2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid > 2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid > 2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoic acid > 2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxypropionic acid > InChI=1S/C19H32N2O13/c1-6(17(28)29)31-16-12(21-8(3)25)19(33-9(4-22)13(16)26)34-15-10(5-23)32-18(30)11(14(15)27)20-7(2)24/h6,9-16,18-19,22-23,26-27,30H,4-5H2,1-3H3,(H,20,24)(H,21,25)(H,28,29)/t6?,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1 > SJKBAJLKHOPUHW-NHFRPMDVSA-N > -4.2 > 496.19043908 > C19H32N2O13 > 496.5 > CC(C(=O)O)OC1C(C(OC(C1O)CO)OC2C(OC(C(C2O)NC(=O)C)O)CO)NC(=O)C > CC(C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)CO)NC(=O)C > 234 > 496.19043908 > 0 > 34 > 10 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 6 19 1 5 16 14 6 24 15 6 22 26 5 23 27 5 28 31 3 18 4 5 20 5 5 21 6 6 25 7 5 $$$$